SCHEMBL3955829

SCHEMBL3955829

C=CCc1c(OC)ccc2c(C)noc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.50
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
GAA P10253 1/20 0.38
POLB P06746 2/20 0.38
SRD5A1 P18405 2/20 0.35
CYP3A4 P08684 2/20 0.34
ALOX5 P09917 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
PTGS1 P23219 2/20 0.34
AR P10275 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
XPO1 O14980 1/20 0.34
ABCB1 P08183 1/20 0.34
PTGS2 P35354 1/20 0.34
HCRTR1 O43613 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
SCHEMBL13841092 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDPPARDCYP3A4
SCHEMBL13841091 0.82 KDM4E (0.38) ALDH1A1KDM4EHPGDPPARDGAA
SCHEMBL13596012 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EPPARDGAAPOLB
SCHEMBL13596040 0.81 HTT (0.38) ALDH1A1KDM4EPPARDGAAHCRTR1
SCHEMBL4125002 0.79 SRD5A1 (0.46) ALDH1A1KDM4EHPGDPPARGPPARD
SCHEMBL13596053 0.77 CYP1A2 (0.34) ALDH1A1KDM4EHPGDGAACYP3A4
SCHEMBL13596069 0.77 CYP1A2 (0.34) KDM4EPOLBCYP3A4MEN1KMT2A
SCHEMBL13596093 0.77 CYP3A4 (0.38) ALDH1A1KDM4EHPGDPPARGPPARD
SCHEMBL4114628 0.75 BRD4 (0.36) ALDH1A1GAAARMEN1KMT2A
SCHEMBL7606859 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDPPARDPOLB

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 9 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-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 (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 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.