SCHEMBL12154152

SCHEMBL12154152

CCc1ccc(-c2ccc(F)c(F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.56
CYP11B1 P15538 2/20 0.56
CYP11B2 P19099 2/20 0.56
KIF11 P52732 1/20 0.42
RARB P10826 2/20 0.41
RARA P10276 1/20 0.41
RARG P13631 1/20 0.41
TAAR1 Q96RJ0 3/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP19A1 P11511 1/20 0.40
FAAH O00519 1/20 0.39
MLNR O43193 1/20 0.38
CYP2D6 P10635 1/20 0.38
EGFR P00533 1/20 0.38
UCHL1 P09936 1/20 0.38
NOTUM Q6P988 1/20 0.37
TP53 P04637 1/20 0.37
USP7 Q93009 1/20 0.37
BCL2 P10415 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
SCHEMBL16258028 1.00 CYP17A1 (0.56) CYP17A1CYP11B1CYP11B2KIF11RARB
SCHEMBL16258055 1.00 CYP17A1 (0.56) CYP17A1CYP11B1CYP11B2KIF11RARB
SCHEMBL8990898 0.94 CYP17A1 (0.51) CYP17A1CYP11B1CYP11B2KIF11RARB
SCHEMBL16257976 0.91 CYP17A1 (0.49) CYP17A1CYP11B1CYP11B2KIF11RARB
SCHEMBL16258016 0.91 CYP17A1 (0.49) CYP17A1CYP11B1CYP11B2KIF11RARB
SCHEMBL16258035 0.91 CYP17A1 (0.49) CYP17A1CYP11B1CYP11B2KIF11RARB
SCHEMBL16258045 0.88 CYP17A1 (0.46) CYP17A1CYP11B1CYP11B2RARBRARA
SCHEMBL18416776 0.88 CYP17A1 (0.46) CYP17A1CYP11B1CYP11B2RARBRARA
SCHEMBL3153827 0.87 CYP1A2 (0.50) CYP17A1CYP11B1CYP11B2KIF11RARB
SCHEMBL19301066 0.85 CYP17A1 (0.46) CYP17A1CYP11B1CYP11B2KIF11RARB

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-9752075-B2 Mesogenic media and liquid crystal display MERCK PATENT GMBH (DE) 2017-09-05 US disclosed
US-20170210990-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-07-27 US disclosed
US-20160298031-A1 MESOGENIC MEDIA AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2016-10-13 US disclosed
US-20160289561-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2016-10-06 US disclosed
US-20160024383-A1 LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2016-01-28 US disclosed
US-20160024383-A1 LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2016-01-28 US disclosed
EP-2806011-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC Corporation (JP) 2014-11-26 EP disclosed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455061-B2 Optically active compound having polymerizable group and its polymer JNC CORPORATION (JP) 2013-06-04 US disclosed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US disclosed
US-20110086185-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND AND ITS POLYMER CHISSO CORPORATION (JP) 2011-04-14 US disclosed
US-20100297367-A1 OPTICALLY ANISOTROPIC SUBSTANCE CHISSO CORPORATION (JP) 2010-11-25 US disclosed
US-20100096591-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND POLYMER CHISSO CORPORATION 2010-04-22 US disclosed
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US disclosed
EP-1218361-B1 OXA- AND THIAZOLE DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-01-07 EP disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 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 (7 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-20100096591-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND POLYMER PKN1, ZYX, OXER1 CYP17A1 191/4885CYP11B1 52/4885CYP11B2 193/4885
US-20110086185-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND AND ITS POLYMER CCNT1, POF1B, CCND3 CYP17A1 1784/4885CYP11B1 2947/4885CYP11B2 3238/4885
US-20160289561-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 CYP17A1 2476/4885CYP11B1 1613/4885CYP11B2 1457/4885
US-20170210990-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA SP1, FOXM1, S100A11 CYP17A1 2299/4885CYP11B1 1497/4885CYP11B2 1424/4885
US-20110118282-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A2, GUCY1A1 CYP17A1 605/4885CYP11B1 215/4885CYP11B2 231/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 CYP17A1 605/4885CYP11B1 215/4885CYP11B2 231/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA CYP17A1 1178/4885CYP11B1 522/4885CYP11B2 830/4885

“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.