SCHEMBL5223897

SCHEMBL5223897

Cc1cc(C(=O)O)ccc1CCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
TSHR P16473 2/20 0.46
MYC P01106 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX15 P16050 1/20 0.46
PTPN7 P35236 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RARB P10826 2/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GRM1 Q13255 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
KMT2A Q03164 1/20 0.45
ACE2 Q9BYF1 3/20 0.43
RARA P10276 1/20 0.43
RARG P13631 1/20 0.43

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
SCHEMBL11423248 0.87 EPHX2 (0.51) EPHX2TSHRMYCESR1ALOX15
SCHEMBL11424107 0.87 EPHX2 (0.51) EPHX2TSHRMYCESR1ALOX15
SCHEMBL15905718 0.85 EPHX2 (0.50) EPHX2TSHRMYCESR1ALOX15
SCHEMBL4549023 0.85 ACE2 (0.53) EPHX2TSHRMYCESR1ALOX15
SCHEMBL5518254 0.84 NPSR1 (0.63) EPHX2TSHRMYCESR1ALOX15
SCHEMBL6547934 0.84 EPHX2 (0.36) EPHX2HSD17B10RARBALDH1A1KDM4E
SCHEMBL3708071 0.84 HTR7 (0.53) EPHX2TSHRMYCESR1ALOX15
SCHEMBL12226962 0.84 PARP1 (0.43) EPHX2TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL16302403 0.84 EPHX2 (0.49) EPHX2TSHRMYCESR1ALOX15
SCHEMBL27311828 0.84 EPHX2 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309702-A1 DYNAMIC INHIBITORS OF HEAT SHOCK PROTEIN 90 UNIVERSITY OF KANSAS (US) 2012-12-06 US disclosed
EP-1817306-A1 TRIAZOLES AND THEIR USE AS BRADYKININ B1 RECEPTOR ANTAGONISTS Amgen, Inc (US) 2007-08-15 EP disclosed
WO-2006044355-A1 TRIAZOLES AND THEIR USE AS BRADYKININ B1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2006-04-27 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 (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-20120309702-A1 DYNAMIC INHIBITORS OF HEAT SHOCK PROTEIN 90 HSP90AA1, HSP90AB1, HSP90B1 EPHX2 3772/4885TSHR 4116/4885MYC 287/4885

“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.