SCHEMBL96430

SCHEMBL96430

CCC=CC(O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
HKDC1 Q2TB90 1/20 0.39
AOC3 Q16853 7/20 0.38
TRPA1 O75762 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
HIF1A Q16665 1/20 0.38
RIPK1 Q13546 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2243794 1.00 LMNA (0.48) LMNAHKDC1AOC3TRPA1POLB
SCHEMBL11427004 0.84 LMNA (0.45) LMNAHKDC1AOC3TRPA1KDM4E
SCHEMBL28545770 0.84 LMNA (0.45) LMNAHKDC1AOC3TRPA1KDM4E
SCHEMBL4109477 0.82 STAT3 (0.35) LMNAPOLBMEN1KMT2AATM
SCHEMBL4104012 0.81 CYP1A2 (0.55) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL11981273 0.81 CYP1A2 (0.55) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL4104011 0.81 CYP1A2 (0.55) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL691654 0.81 TRPA1 (0.47) LMNAAOC3TRPA1KDM4EADRA2A
SCHEMBL691655 0.81 TRPA1 (0.47) LMNAAOC3TRPA1KDM4EADRA2A
SCHEMBL11001287 0.81 LMNA (0.40) LMNAAOC3TRPA1MEN1KMT2A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201732-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Allyl Alcohols-Acroleins and use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-08-18 US claimed
US-20110201733-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof By Means of Allyl Alcohols and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-08-18 US claimed
US-8569524-B2 Bis(tetrahydrofuran) compound, method for production of the compund, and use of the compound GLYTECH INC. (JP) 2013-10-29 US disclosed
EP-2123655-B1 BIS(TETRAHYDROFURAN) COMPOUND, METHOD FOR PRODUCTION OF THE COMPOUND, AND USE OF THE COMPOUND OTSUKA CHEMICAL CO LTD (JP) 2013-04-10 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20100105931-A1 BIS(TETRAHYDROFURAN) COMPOUND, METHOD FOR PRODUCTION OF THE COMPOUND, AND USE OF THE COMPOUND OTSUKA CHEMICAL CO., LTD. (JP) 2010-04-29 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2123655-A1 BIS(TETRAHYDROFURAN) COMPOUND, METHOD FOR PRODUCTION OF THE COMPOUND, AND USE OF THE COMPOUND Otsuka Chemical Co., Ltd. (JP) 2009-11-25 EP disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
US-4791183-A 1,2-DIHALOETHYL STYRENES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1988-12-13 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB LMNA 3740/4885HKDC1 4519/4885AOC3 3400/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 LMNA 4860/4885HKDC1 2583/4885AOC3 3669/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 LMNA 4860/4885HKDC1 2583/4885AOC3 3669/4885
US-20100105931-A1 BIS(TETRAHYDROFURAN) COMPOUND, METHOD FOR PRODUCTION OF THE COMPOUND, AND USE OF THE COMPOUND BDNF, NGF, NTRK2 LMNA 3486/4885HKDC1 2379/4885AOC3 197/4885
US-20110201733-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof By Means of Allyl Alcohols and Use Thereof HAO2, ALOX5, AOC3 LMNA 4153/4885HKDC1 3791/4885AOC3 3/4885
US-20110201732-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Allyl Alcohols-Acroleins and use Thereof AOC3, SCO2, AOC2 LMNA 3543/4885HKDC1 3614/4885AOC3 1/4885

“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.