SCHEMBL3961766

SCHEMBL3961766

C=CCc1c(OC)ccc2c1OC(C)(C)CC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 2/20 0.43
MAOB P27338 5/20 0.37
FFAR4 Q5NUL3 2/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
MAPT P10636 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34

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
SCHEMBL543748 0.90 FFAR4 (0.38) ALDH1A1KDM4EHPGDMAOBFFAR4
SCHEMBL5042254 0.87 KDM4E (0.40) ALDH1A1KDM4EHPGDMAOBFFAR4
SCHEMBL3956826 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDPOLBPPARG
SCHEMBL10059969 0.82 KDM4E (0.38) ALDH1A1KDM4EHPGDMAOBFFAR4
SCHEMBL543855 0.82 KDM4E (0.41) ALDH1A1KDM4EHPGDMAOBFFAR4
SCHEMBL3961440 0.82 KDM4E (0.46) ALDH1A1KDM4EHPGDPOLBMAOB
SCHEMBL12021889 0.79 FFAR4 (0.38) ALDH1A1KDM4EHPGDPOLBFFAR4
SCHEMBL3961427 0.78 KDM4E (0.38) ALDH1A1KDM4EHPGDMAOBFFAR4
SCHEMBL10401758 0.78 KDM4E (0.46) ALDH1A1KDM4EHPGDMAOBMAPT
SCHEMBL10401917 0.78 KDM4E (0.43) ALDH1A1KDM4EHPGDMAOBFFAR4

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 11 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-7538123-B2 Indole derivative having piperidine ring EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-05-26 US disclosed
US-7538123-B2 Indole derivative having piperidine ring EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-05-26 US disclosed
US-20080227815-A1 Crystal of Indole Derivative Having Piperidine Ring and Process for Production Thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-18 US disclosed
EP-1880994-A1 CRYSTAL OF INDOLE DERIVATIVE HAVING PIPERIDINE RING AND PROCESS FOR PRODUCTION THEREOF Eisai R&D Management Co., Ltd. (JP) 2008-01-23 EP disclosed
US-20070219179-A1 Indole Derivative Having Piperidine Ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219179-A1 Indole Derivative Having Piperidine Ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-20 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
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 (3 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-20080227815-A1 Crystal of Indole Derivative Having Piperidine Ring and Process for Production Thereof IDO1, IDO2, INMT ALDH1A1 1367/4885KDM4E 112/4885HPGD 1379/4885
US-20070219179-A1 Indole Derivative Having Piperidine Ring HTR5A, HTR2C, HTR1A ALDH1A1 310/4885KDM4E 1505/4885HPGD 1616/4885
US-20050256103-A1 Indole derivative having piperidine ring HTR5A, HTR2C, HTR1A ALDH1A1 295/4885KDM4E 1558/4885HPGD 1202/4885

“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.