SCHEMBL3958644

SCHEMBL3958644

C=CCc1cc(C(=O)CC)c(O)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.65
PTPN1 P18031 12/20 0.47
ALOX5 P09917 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
AR P10275 1/20 0.43
PTGS1 P23219 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
GABRA1 P14867 1/20 0.43
CNR2 P34972 1/20 0.43
GABRB2 P47870 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 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
SCHEMBL3959266 0.85 HTT (0.60) HMGCRPTPN1ALOX5ALDH1A1CYP3A4
SCHEMBL9417928 0.79 NR1H4 (0.44) HMGCRALDH1A1CNR2KDM4E
SCHEMBL3486415 0.78 ALDH1A1 (0.57) HMGCRPTPN1ALOX5ALDH1A1CYP3A4
SCHEMBL9417934 0.77 PTPN1 (0.52) PTPN1CYP3A4HTT
SCHEMBL9417859 0.76 ALOX5 (0.46) PTPN1ALOX5ALDH1A1CYP3A4AR
SCHEMBL5339173 0.75 ALOX5 (0.41) PTPN1ALOX5ALDH1A1CYP3A4AR
SCHEMBL28052190 0.75 HMGCR (0.83) HMGCRALDH1A1CYP3A4PTGS1KDM4E
SCHEMBL8155803 0.74 ALOX5 (0.49) HMGCRPTPN1ALOX5ALDH1A1CYP3A4
SCHEMBL28167755 0.74 HMGCR (0.75) HMGCRALDH1A1CYP3A4KDM4EHTT
SCHEMBL9417886 0.73 L3MBTL1 (0.41) HMGCRALDH1A1KDM4E

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
US-7538123-B2 Indole derivative having piperidine ring EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-05-26 US disclosed
US-20070219179-A1 Indole Derivative Having Piperidine Ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-20 US disclosed
EP-1757599-A1 INDOLE DERIVATIVES HAVING PIPERIDINE RINGS Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
US-20050256103-A1 Indole derivative having piperidine ring EISAI CO., LTD. 2005-11-17 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-20070219179-A1 Indole Derivative Having Piperidine Ring HTR5A, HTR2C, HTR1A HMGCR 4711/4885PTPN1 1583/4885ALOX5 812/4885
US-20050256103-A1 Indole derivative having piperidine ring HTR5A, HTR2C, HTR1A HMGCR 4641/4885PTPN1 1339/4885ALOX5 587/4885

“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.