SCHEMBL2405010

SCHEMBL2405010

CC(C)c1cc(C(=O)O)sc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
ALOX15 P16050 1/20 0.47
FABP3 P05413 1/20 0.47
FABP4 P15090 1/20 0.47
DAO P14920 10/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR35 Q9HC97 3/20 0.41
ACE2 Q9BYF1 1/20 0.38
PKM P14618 1/20 0.37
LIG1 P18858 1/20 0.37
BCL2L1 Q07817 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
SCHEMBL15107096 0.84 TP53 (0.41) KDM4EMAPTALOX15FABP3FABP4
SCHEMBL2406933 0.83 KDM4E (0.43) KDM4EMAPTFABP3FABP4ALDH1A1
SCHEMBL19992813 0.80 KDM4E (0.66) KDM4EMAPTALOX15DAOMEN1
SCHEMBL14072938 0.80 DAO (0.59) KDM4EMAPTALOX15FABP3FABP4
SCHEMBL23511677 0.78 KDM4E (0.50) KDM4EMAPTALOX15DAOMEN1
SCHEMBL26651097 0.75 HDAC4 (0.42) ALDH1A1
SCHEMBL26651104 0.75 PRKAB2 (0.38) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL12272917 0.74 FABP3 (0.42) KDM4EMAPTALOX15FABP3FABP4
SCHEMBL2411219 0.74 RARA (0.44) MAPTFABP3FABP4MEN1KMT2A
SCHEMBL22858991 0.73 ALDH1A1 (0.45) MAPTMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722730-B2 5-membered heterocyclic compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 US disclosed
US-8722730-B2 5-membered heterocyclic compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 US disclosed
US-8722730-B2 5-membered heterocyclic compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 US disclosed
CN-101821236-B Five-membered heterocyclic compound RES FOUND ITSUU LAB 2013-05-08 CN disclosed
US-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
US-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
US-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
CN-101560272-B Olefinic polymerization catalyst, preparation method and polymerization method YINGKOU XIANGYANG CATALYST CO LTD 2011-04-13 CN disclosed
CN-101560273-B Olefinic polymerization catalyst, preparation method and polymerization method YINGKOU XIANGYANG CATALYST CO LTD 2011-03-23 CN disclosed
CN-101821236-A Five-membered heterocyclic compound RES FOUND ITSUU LAB 2010-09-01 CN disclosed
EP-2189445-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 EP disclosed
EP-2189445-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 EP disclosed
CN-101560272-A Olefinic polymerization catalyst, preparation method and polymerization method YINGKOU XIANGYANG CATALYST CO (CN) 2009-10-21 CN disclosed
CN-101560273-A Olefinic polymerization catalyst, preparation method and polymerization method YINGKOU XIANGYANG CATALYST CO (CN) 2009-10-21 CN 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 (1 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-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RXRA, RXRG, RXRB KDM4E 2854/4885MAPT 4308/4885ALOX15 2178/4885

“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.