SCHEMBL95443

SCHEMBL95443

CCCC=C(O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.43
CYP1A2 P05177 3/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CES2 O00748 5/20 0.41
CES1 P23141 5/20 0.41
ATM Q13315 1/20 0.40
NFE2L2 Q16236 1/20 0.40
LMNA P02545 1/20 0.39
PTGS2 P35354 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2D6 P10635 1/20 0.37
MAPT P10636 2/20 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
SCHEMBL4115472 1.00 CYP3A4 (0.43) CYP3A4CYP1A2TSHRALDH1A1CES2
SCHEMBL30088493 0.87 PTGS2 (0.46) CYP3A4CYP1A2TSHRALDH1A1CES2
SCHEMBL10324996 0.84 CES2 (0.47) CES2CES1PTGS2MAPTKDM4E
SCHEMBL28871639 0.83 ATM (0.42) CYP3A4CYP1A2TSHRALDH1A1CES2
SCHEMBL1226216 0.82 SIGMAR1 (0.49) CYP3A4CYP1A2TSHRALDH1A1MTNR1A
SCHEMBL3680121 0.81 ATM (0.43) CYP3A4TSHRALDH1A1CES2CES1
SCHEMBL94817 0.81 ATM (0.43) CYP3A4TSHRALDH1A1CES2CES1
SCHEMBL2093325 0.81 BCL2L1 (0.44) CYP3A4CYP1A2TSHRALDH1A1CES2
SCHEMBL10907609 0.80 CYP1A2 (0.42) CYP3A4CYP1A2TSHRALDH1A1CES2
SCHEMBL9757698 0.80 CYP1A2 (0.42) CYP3A4CYP1A2TSHRALDH1A1CES2

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-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
US-8236976-B2 Processes for highly enantio- and diastereoselective synthesis of acyclic epoxy alcohols and allylic epoxy alcohols THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-08-07 US 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
US-20090163728-A1 Processes for Highly Enantio- and Diastereoselective Synthesis of Acyclic Epoxy Alcohols and Allylic Epoxy Alcohols THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-06-25 US 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
WO-2005087755-A1 PROCESSES FOR HIGHLY ENANTIO-AND DIASTEREOSELECTIVE SYNTHESIS OF ACYCLIC EPOXY ALCOHOLS AND ALLYLIC EPOXY ALCOHOLS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2005-09-22 WO 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 (5 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 CYP3A4 3412/4885CYP1A2 3062/4885TSHR 3439/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CYP3A4 953/4885CYP1A2 1412/4885TSHR 110/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CYP3A4 953/4885CYP1A2 1412/4885TSHR 110/4885
US-20100105931-A1 BIS(TETRAHYDROFURAN) COMPOUND, METHOD FOR PRODUCTION OF THE COMPOUND, AND USE OF THE COMPOUND BDNF, NGF, NTRK2 CYP3A4 790/4885CYP1A2 879/4885TSHR 900/4885
US-20090163728-A1 Processes for Highly Enantio- and Diastereoselective Synthesis of Acyclic Epoxy Alcohols and Allylic Epoxy Alcohols ADH1C, ADH1A, ADH5 CYP3A4 106/4885CYP1A2 27/4885TSHR 3376/4885

“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.