SCHEMBL3301743

SCHEMBL3301743

Cc1ccc([CH]c2ccccc2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.45
NQO2 P16083 1/20 0.42
PSMB5 P28074 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40

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
SCHEMBL2845356 0.82 AMY1A (0.47) NQO2KDM4EALDH1A1L3MBTL1AMY1A
SCHEMBL6547378 0.82 NFE2L2 (0.51) NFE2L2KDM4EALDH1A1L3MBTL1TUBB4A
SCHEMBL16105579 0.82 NFE2L2 (0.51) NFE2L2KDM4EALDH1A1L3MBTL1TUBB4A
SCHEMBL16105505 0.82 NFE2L2 (0.51) NFE2L2KDM4EALDH1A1L3MBTL1TUBB4A
Styrene SCHEMBL27350020 0.79 ALDH1A1 (0.52) NFE2L2NQO2PSMB5KDM4EALDH1A1
SCHEMBL1009581 0.78 TSHR (0.52) NFE2L2KDM4EALDH1A1L3MBTL1MEN1
SCHEMBL23457988 0.77 MAOB (0.50) NFE2L2KDM4EALDH1A1L3MBTL1TUBB4A
SCHEMBL23457986 0.77 MAOB (0.50) NFE2L2KDM4EALDH1A1L3MBTL1TUBB4A
SCHEMBL2094957 0.73 TP53 (0.50) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL8893997 0.73 ACHE (0.53) NFE2L2ALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US claimed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US claimed
WO-2008054522-A2 ROOM TEMPERATURE SYNTHESIS OF GAN NANOPOWDER OHIO UNIVERSITY (US) 2008-05-08 WO claimed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US disclosed
US-8299072-B2 Pyrazolylmethylamine compounds as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-30 US disclosed
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-04-15 US disclosed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US disclosed
EP-1361225-B1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS SANKYO CO (JP) 2007-11-07 EP disclosed
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-7091352-B2 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP disclosed
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
US-5308530-A Builders and antideposit agents for detergents LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1994-05-03 US disclosed
US-5066749-A Acrylic polymers containing carboxy groups and long chain esters of acrylic or methacarylic acid NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1991-11-19 US disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
US-4814222-A SWELLING AGENT BURLINGTON INDUSTRIES, INC. (US) 1989-03-21 US disclosed
US-4752300-A CYCLIC PHOSPHONATE ESTERS BURLINGTON INDUSTRIES, INC. (US) 1988-06-21 US disclosed
US-4741740-A DYEING, SWELLING BURLINGTON INDUSTRIES, INC. (US) 1988-05-03 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-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B NFE2L2 387/4885NQO2 12/4885PSMB5 2380/4885
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 NFE2L2 3063/4885NQO2 3337/4885PSMB5 3128/4885
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1I, CACNA1C, ORAI1 NFE2L2 3204/4885NQO2 2331/4885PSMB5 1394/4885

“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.