SCHEMBL3536952

SCHEMBL3536952

[CH2]Cc1ccc(C(=O)O)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
TSHR P16473 3/20 0.47
MYC P01106 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX15 P16050 1/20 0.47
PTPN7 P35236 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GRM1 Q13255 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 1/20 0.46
RXRA P19793 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NR1H4 Q96RI1 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL2591830 0.84 EPHX2 (0.54) EPHX2TSHRMYCESR1ALOX15
SCHEMBL6859659 0.84 EPHX2 (0.54) EPHX2TSHRMYCESR1ALOX15
SCHEMBL4549023 0.82 ACE2 (0.53) EPHX2TSHRMYCESR1ALOX15
SCHEMBL6439247 0.81 EPHX2 (0.51) EPHX2TSHRMYCESR1ALOX15
SCHEMBL11424107 0.81 EPHX2 (0.51) EPHX2TSHRMYCESR1ALOX15
SCHEMBL28778773 0.81 EPHX2 (0.51) EPHX2TSHRMYCESR1ALOX15
SCHEMBL14235189 0.81 NR1H4 (0.52) EPHX2TSHRMYCESR1ALOX15
SCHEMBL11423248 0.81 EPHX2 (0.51) EPHX2TSHRMYCESR1ALOX15
SCHEMBL3360458 0.81 EPHX2 (0.51) EPHX2TSHRMYCESR1ALOX15
SCHEMBL6135979 0.81 EPHX2 (0.51) EPHX2TSHRMYCESR1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017223514-A9 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2018-04-12 WO claimed
WO-2017223514-A1 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2017-12-28 WO claimed
US-7759365-B2 Piperidine-substituted indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-20 US disclosed
US-20060247230-A1 Novel Piperidine-Substituted Indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-02 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 (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-20060247230-A1 Novel Piperidine-Substituted Indoles CCR3, CCR1, CCR2 EPHX2 1442/4885TSHR 1530/4885MYC 4505/4885

“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.