SCHEMBL1508098

SCHEMBL1508098

CCCC[C@H]1CC[C@H](C(=O)Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
CYP1A2 P05177 2/20 0.48
PKM P14618 1/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TP53 P04637 2/20 0.44
CCR2 P41597 1/20 0.40
TLR4 O00206 1/20 0.40
GAA P10253 1/20 0.39
NAAA Q02083 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1284003 1.00 HTT (0.53) HTTLMNAMAPK1POLBHPGD
SCHEMBL10902321 0.94 POLB (0.49) HTTLMNAMAPK1POLBHPGD
SCHEMBL10737844 0.94 POLB (0.49) HTTLMNAMAPK1POLBHPGD
SCHEMBL10737849 0.94 POLB (0.49) HTTLMNAMAPK1POLBHPGD
SCHEMBL3319559 0.94 PKM (0.54) HTTLMNAMAPK1POLBHPGD
SCHEMBL2576204 0.94 PKM (0.54) HTTLMNAMAPK1POLBHPGD
SCHEMBL10450410 0.92 HTT (0.55) HTTLMNAMAPK1POLBHPGD
SCHEMBL5478099 0.92 HTT (0.55) HTTLMNAMAPK1POLBHPGD
SCHEMBL10393841 0.92 HTT (0.55) HTTLMNAMAPK1POLBHPGD
SCHEMBL9406241 0.92 HTT (0.55) HTTLMNAMAPK1POLBHPGD

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 26 patents — showing the first 20. 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-5348677-A Electro-optical liquid crystal display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-20 US disclosed
US-5279764-A Dihalogenobenzene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-01-18 US disclosed
US-5248447-A 2,3-difluorohydroquinone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-09-28 US disclosed
US-5196140-A ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-03-23 US disclosed
EP-0315958-B1 OPTICALLY ACTIVE MESOMORPHIC COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING SAME CANON KABUSHIKI KAISHA (JP) 1993-03-10 EP disclosed
EP-0400861-A1 1,3-dioxane derivative and liquid crystal composition incorporating the same SEIKO EPSON CORPORATION (JP) 1990-12-05 EP disclosed
US-4948790-A Long-acting androgenic compounds and pharmaceutical compositions thereof ARCHER SYDNEY (US) 1990-08-14 US disclosed
US-4917821-A Optically active mesomorphic compound and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1990-04-17 US disclosed
EP-0315958-A2 Optically active mesomorphic compound and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1989-05-17 EP disclosed
US-4490278-A Liquid crystal substituted trans-4-n-alkylcyclohexanes and subst.-3-subst.-benzoyloxy-[trans-4-n-alkylcyclohexane]s VEB WERK FUR FERNSEHELEKTRONIK IM VEB KOMBINAT MIKROELEKTRONIK (DE) 1984-12-25 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 (3 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 HTT 574/4885LMNA 1122/4885MAPK1 3161/4885
US-20110195942-A1 METHOD OF MAKING AND USING 7ALPHA, 11BETA-DIMETHYL-17BETA-HYDROXYESTR-4-EN-3-ONE 17-UNDECANOATE HSD17B11, HSD17B13, HSD3B1 HTT 574/4885LMNA 1122/4885MAPK1 3161/4885
US-10351587-B2 Method of making and using 7α, 11β-dimethyl-17β-hydroxyestr-4-en-3-one 17-undecanoate HSD17B11, HSD17B13, CYP19A1 HTT 367/4885LMNA 933/4885MAPK1 3451/4885

“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.