SCHEMBL6421767

SCHEMBL6421767

COC(=O)c1cc2ccc(C(=O)O)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.56
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
XDH P47989 2/20 0.51
EIF4A3 P38919 1/20 0.48
ALOX15 P16050 3/20 0.47
KDM4E B2RXH2 4/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ENPP2 Q13822 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
HSP90AA1 P07900 1/20 0.45
ESR2 Q92731 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CHEK2 O96017 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL6421763 0.90 KIF11 (0.53) XDHALOX15KDM4EHPGDHSD17B10
SCHEMBL18814268 0.88 HRH3 (0.72) HRH3XDHKDM4EHPGDHSD17B10
SCHEMBL28415588 0.88 EIF4A3 (0.55) HRH3CASP3SENP8SENP7SENP6
SCHEMBL21531156 0.86 XDH (0.64) HRH3XDHKDM4ECHEK2PDGFRB
SCHEMBL6417272 0.84 HRH3 (0.80) HRH3CASP3SENP8SENP7SENP6
SCHEMBL6947975 0.84 HRH3 (0.52) HRH3CASP3SENP8SENP7SENP6
SCHEMBL30445643 0.83 HSD17B10 (0.61) HRH3CASP3SENP8SENP7SENP6
SCHEMBL69851 0.83 HSD17B10 (0.61) HRH3CASP3SENP8SENP7SENP6
SCHEMBL8479941 0.82 GABRA1 (0.47) HRH3XDHALOX15KDM4EALDH1A1
SCHEMBL6424303 0.81 KIF11 (0.50) XDHALOX15KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
US-20050178659-A1 Copolymer compound and electrochemical cell therewith NEC TOKIN CORPORATION (JP) 2005-08-18 US disclosed
US-5985909-A Cyclopropylindoles and their seco precursors, and their use as prodrugs CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-11-16 US disclosed
EP-0850220-A1 CYCLOPROPYLINDOLES AND THEIR SECO PRECURSORS, AND THEIR USE AS PRODRUGS AUCKLAND DIVISION CANCER SOCIETY OF NEW ZEALAND INC. (NZ) 1998-07-01 EP disclosed
WO-1997007097-A1 CYCLOPROPYLINDOLES AND THEIR SECO PRECURSORS, AND THEIR USE AS PRODRUGS AUCKLAND DIVISION CANCER SOCIETY OF NEW ZEALAND INC. (NZ) 1997-02-27 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-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 HRH3 1501/4885CASP3 2480/4885SENP8 423/4885

“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.