SCHEMBL1508100

SCHEMBL1508100

CCCCC1CCC(Cl)(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
CYP1A2 P05177 2/20 0.44
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
TLR4 O00206 1/20 0.37
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34
NAAA Q02083 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC1A2 P43004 1/20 0.33
USP2 O75604 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2576207 0.95 TP53 (0.40) MAPTCYP1A2POLBHPGDHTT
SCHEMBL10902327 0.94 MAPT (0.43) MAPTCYP1A2POLBHPGDHTT
SCHEMBL10471196 0.93 TP53 (0.43) MAPTCYP1A2HTTTP53PKM
SCHEMBL10450411 0.93 TP53 (0.43) MAPTCYP1A2HTTTP53PKM
SCHEMBL5478105 0.93 TP53 (0.43) MAPTCYP1A2HTTTP53PKM
SCHEMBL7876219 0.89 ARG1 (0.36) MAPTLMNATLR4KMT2AARG1
SCHEMBL8774101 0.81 MAPT (0.39) MAPTCYP1A2POLBHPGDHTT
SCHEMBL28319003 0.81 CYP1A2 (0.47) MAPTCYP1A2POLBHPGDHTT
SCHEMBL11310025 0.81 POLB (0.39) POLBHPGDARG1ARG2ALDH1A1
SCHEMBL1080926 0.80 FFAR3 (0.46) MAPTCYP1A2POLBHPGDHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351587-B2 Method of making and using 7α, 11β-dimethyl-17β-hydroxyestr-4-en-3-one 17-undecanoate THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-07-16 US disclosed
US-20110195942-A1 METHOD OF MAKING AND USING 7ALPHA, 11BETA-DIMETHYL-17BETA-HYDROXYESTR-4-EN-3-ONE 17-UNDECANOATE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN 2011-08-11 US disclosed
EP-1873228-B1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL, OPTICAL ELEMENT, AND OPTICAL HEAD DEVICE ASAHI GLASS CO LTD (JP) 2011-03-09 EP disclosed
US-7534370-B2 Polymerizable liquid crystal composition, optical anisotropic material, optical element and optical head device ASAHI GLASS COMPANY, LIMITED (JP) 2009-05-19 US disclosed
US-20090023695-A1 METHOD OF MAKING AND USING 7alpha,11beta-DIMETHYL-17beta-HYDROXYESTR-4-EN-3-ONE 17-UNDECANOATE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH 2009-01-22 US disclosed
US-20080048149-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL, OPTICAL ELEMENT AND OPTICAL HEAD DEVICE ASAHI GLASS COMPANY, LIMITED (JP) 2008-02-28 US disclosed
EP-1873228-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL, OPTICAL ELEMENT, AND OPTICAL HEAD DEVICE Asahi Glass Company, Limited (JP) 2008-01-02 EP disclosed
US-7196074-B2 Methods of making, using and pharmaceutical formulations comprising 7α, 11β-dimethyl-17β-hydroxyestra-4, 14-dien-3-one and 17 esters thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-03-27 US disclosed
EP-1272196-B1 METHODS OF MAKING THE 4-N-BUTYLCYCLOHEXANOIC AND THE UNDECANOIC ACID ESTERS OF (7 ALPHA,11 BETA)-DIMETHYL-17 BETA-HYDROXY-4-ESTREN-3-ONE AND THEIR MEDICAL USE US GOV HEALTH & HUMAN SERV (US) 2006-08-02 EP disclosed
EP-1379253-B1 METHODS OF MAKING AND PHARMACEUTICAL FORMULATIONS COMPRISING 7ALPHA,11BETA-DIMETHYL-17BETA-HYDROXYESTRA-4, 14-DIEN-3-ONE AND 17 ESTERS THEREOF US GOV HEALTH & HUMAN SERV (US) 2006-03-29 EP disclosed
US-20050130944-A1 Method of making and using 7alpha,11beta-dimethyl-17beta-hydroxyestr-4-en-3-one 17-undecanoate GOVERNMENT OF THE USA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-06-16 US disclosed
US-20030130243-A1 Methods of making, using and pharmaceutical formulations comprising 7alpha, 11beta-dimethyl-17beta-hydroxyestra-4, 14-dien-3-one and 17 esters thereof and 17 esters of 7alpha-methyl-17beta-hydroxyestra-4,14-dien-3-one THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, 2003-07-10 US disclosed
US-20030069215-A1 Methods of making and using 7a,11b-dimethyl-17b-hydroxy-4-estren-3-one 17b-trans-4-n-butylcyclohexane carboxylate and 7a,11b-dimethyl-17b-hydroxyestr-4-en-3-one 17-undecanoate THE GOVERNMENT OF THE UNITED STATES OF AMERICA, 2003-04-10 US disclosed
US-6174573-B1 3,4'-(HALO OR HALOGEN),4-((CYCLO)ALK(OXY)CARBONYLOXY)-DIPHENYLACETYLENE COMPOUNDS WHICH INCREASE THE N-I POINT (NEMATIC ANISOTROPY PHASE TRANSITION TEMPERATURE), AND THE DOUBLE REFRACTIVE INDEX CITIZEN WATCH CO., LTD. (JP) 2001-01-16 US disclosed
US-5972244-A INCREASE THE N-I POINT, DECREASE VISCOSITY, AND INCREASE DOUBLE REFRACTIVE INDEX OF A LIQUID CRYSTAL COMPOSITION WITHOUT AFFECTING THRESHOLD VOLTAGE CITIZEN WATCH CO., LTD. (JP) 1999-10-26 US disclosed
US-5348677-A Electro-optical liquid crystal display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-20 US disclosed
US-5196140-A ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-03-23 US disclosed
US-4948790-A Long-acting androgenic compounds and pharmaceutical compositions thereof ARCHER SYDNEY (US) 1990-08-14 US disclosed
US-4626375-A Liquid crystalline substances VEB WERK FUER FERNSEHELEKTRONIK (DD) 1986-12-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090023695-A1 METHOD OF MAKING AND USING 7alpha,11beta-DIMETHYL-17beta-HYDROXYESTR-4-EN-3-ONE 17-UNDECANOATE HSD17B11, HSD17B13, HSD3B1 MAPT 4310/4885CYP1A2 134/4885POLB 1313/4885
US-20030130243-A1 Methods of making, using and pharmaceutical formulations comprising 7alpha, 11beta-dimethyl-17beta-hydroxyestra-4, 14-dien-3-one and 17 esters thereof and 17 esters of 7alpha-methyl-17beta-hydroxyestra-4,14-dien-3-one HSD17B11, CYP19A1, HSD17B7 MAPT 4718/4885CYP1A2 95/4885POLB 1556/4885
US-20110195942-A1 METHOD OF MAKING AND USING 7ALPHA, 11BETA-DIMETHYL-17BETA-HYDROXYESTR-4-EN-3-ONE 17-UNDECANOATE HSD17B11, HSD17B13, HSD3B1 MAPT 4310/4885CYP1A2 134/4885POLB 1313/4885
US-20050130944-A1 Method of making and using 7alpha,11beta-dimethyl-17beta-hydroxyestr-4-en-3-one 17-undecanoate HSD17B11, HSD17B13, HSD3B1 MAPT 3648/4885CYP1A2 106/4885POLB 1513/4885
US-10351587-B2 Method of making and using 7α, 11β-dimethyl-17β-hydroxyestr-4-en-3-one 17-undecanoate HSD17B11, HSD17B13, CYP19A1 MAPT 3820/4885CYP1A2 155/4885POLB 1830/4885
US-20030069215-A1 Methods of making and using 7a,11b-dimethyl-17b-hydroxy-4-estren-3-one 17b-trans-4-n-butylcyclohexane carboxylate and 7a,11b-dimethyl-17b-hydroxyestr-4-en-3-one 17-undecanoate HSD17B11, CYP19A1, SHBG MAPT 3964/4885CYP1A2 131/4885POLB 1058/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.