SCHEMBL11932083

SCHEMBL11932083

Cc1ccc(CC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.76
ALDH1A1 P00352 7/20 0.52
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
TSHR P16473 2/20 0.52
HPGD P15428 2/20 0.51
MAPK1 P28482 3/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 3/20 0.47
MITF O75030 2/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
USP2 O75604 1/20 0.47
EPHX1 P07099 2/20 0.46

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
SCHEMBL8055167 0.89 CYP19A1 (0.78) CYP19A1ALDH1A1MAPTNPSR1TSHR
SCHEMBL8055165 0.89 CYP19A1 (0.78) CYP19A1ALDH1A1MAPTNPSR1TSHR
SCHEMBL4316032 0.89 CYP19A1 (0.78) CYP19A1ALDH1A1MAPTNPSR1TSHR
SCHEMBL30817871 0.81 CYP19A1 (0.64) CYP19A1ALDH1A1MAPTNPSR1TSHR
SCHEMBL31741651 0.81 CYP19A1 (0.63) CYP19A1ALDH1A1MAPTNPSR1TSHR
SCHEMBL17179864 0.81 CYP19A1 (0.63) CYP19A1ALDH1A1MAPTNPSR1TSHR
SCHEMBL19404493 0.81 CYP19A1 (0.63) CYP19A1ALDH1A1MAPTNPSR1TSHR
SCHEMBL19384163 0.81 CYP19A1 (0.63) CYP19A1ALDH1A1MAPTNPSR1TSHR
SCHEMBL20964084 0.81 CYP19A1 (0.63) CYP19A1ALDH1A1MAPTNPSR1TSHR
SCHEMBL12858554 0.81 CYP19A1 (0.57) CYP19A1ALDH1A1MAPTNPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649045-B1 SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF BAYER IP GMBH (DE) 2015-05-27 EP disclosed
US-9018258-B2 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-9018258-B2 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-05 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 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 (2 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-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF OTC, PC, HCAR2 CYP19A1 306/4885ALDH1A1 379/4885MAPT 4791/4885
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof PC, ACACA, PCCA CYP19A1 892/4885ALDH1A1 419/4885MAPT 4559/4885

“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.