SCHEMBL2576207

SCHEMBL2576207

CCCCCC1CCC(Cl)(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX5 P09917 1/20 0.38
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
CCR2 P41597 1/20 0.34

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
SCHEMBL5478105 0.98 TP53 (0.43) TP53PKMMAPTMEN1KMT2A
SCHEMBL10450411 0.98 TP53 (0.43) TP53PKMMAPTMEN1KMT2A
SCHEMBL10471196 0.98 TP53 (0.43) TP53PKMMAPTMEN1KMT2A
SCHEMBL1508100 0.95 MAPT (0.44) TP53PKMMAPTMEN1KMT2A
SCHEMBL10902327 0.89 MAPT (0.43) TP53PKMMAPTMEN1KMT2A
SCHEMBL7876219 0.87 ARG1 (0.36) MAPTKMT2ACYP2C9
SCHEMBL8773998 0.82 ALOX5 (0.40) TP53PKMMAPTMEN1KMT2A
SCHEMBL8774071 0.81 ALOX5 (0.42) TP53MEN1KMT2AHTTALOX5
SCHEMBL17027427 0.81 TP53 (0.41) TP53PKMMAPTMEN1KMT2A
SCHEMBL11310025 0.80 POLB (0.39) POLBHPGD

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048335-B2 Cholesteric liquid crystal composition CHISSO CORPORATION (JP) 2011-11-01 US disclosed
US-20100086506-A1 CHOLESTERIC LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 2010-04-08 US disclosed
US-20020015804-A1 LIQUID-CRYSTAL COMPOUNDS, LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME, AND LIQUID-CRYSTAL DISPLAY ELEMENT CONTAINING THE SAME CHISSO CORPORATION (JP) 2002-02-07 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
EP-0976703-A1 LIQUID-CRYSTAL COMPOUNDS, LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME, AND LIQUID-CRYSTAL DISPLAY ELEMENT CONTAINING THE SAME CHISSO CORPORATION (JP) 2000-02-02 EP 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-5478496-A Media containing thiazole derivatives and thiadiazole derivatives and having a smectic liquid-crystalline phase MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-12-26 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
EP-0152697-B1 HETEROCYCLICALLY SUBSTITUTED ETHANES AND THEIR USE IN LIQUID CRYSTAL MATERIALS AND DEVICES The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1988-12-07 EP disclosed
US-4713197-A Nitrogen-containing heterocyclic compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-12-15 US disclosed
US-4698176-A Heterocyclically substituted ethanes and their use in liquid crystal materials and devices THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1987-10-06 US disclosed
US-4642199-A Novel liquid crystal compounds and liquid crystal compositions containing same CHISSO CORPORATION (JP) 1987-02-10 US disclosed
US-4632515-A Heterocyclically substituted ethanes and their use in liquid crystal materials and devices THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1986-12-30 US disclosed
EP-0164721-A2 Novel liquid crystal compound and liquid crystal composition containing same Chisso Corporation (JP) 1985-12-18 EP disclosed
EP-0152697-A1 Heterocyclically substituted ethanes and their use in liquid crystal materials and devices The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1985-08-28 EP disclosed
US-4452718-A Pyridazines HOFFMANN-LA ROCHE INC. (US) 1984-06-05 US disclosed
US-4419262-A Pyridazines HOFFMANN-LA ROCHE INC. (US) 1983-12-06 US disclosed
US-4113647-A ELECTRO-OPTIC DISPLAY DEVICE THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1978-09-12 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 (2 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-20100086506-A1 CHOLESTERIC LIQUID CRYSTAL COMPOSITION CYP46A1, NR1H3, NR1H4 TP53 4139/4885PKM 4055/4885MAPT 1849/4885
US-20020015804-A1 LIQUID-CRYSTAL COMPOUNDS, LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME, AND LIQUID-CRYSTAL DISPLAY ELEMENT CONTAINING THE SAME CXCR1, CCR1, CXCR2 TP53 837/4885PKM 4357/4885MAPT 3043/4885

“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.