SCHEMBL3956285

SCHEMBL3956285

C=CCc1c(OC)ccc(C(=O)CC)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
HMGCR P04035 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
PTGS1 P23219 2/20 0.42
CYP3A4 P08684 2/20 0.40
ALOX5 P09917 1/20 0.40
AR P10275 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL3958076 0.85 MAPT (0.49) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL26085962 0.84 MAPT (0.61) HMGCRMAPTMEN1KMT2ALMNA
SCHEMBL3956835 0.84 MEN1 (0.45) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL3958942 0.83 PLK1 (0.49) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL8522465 0.83 KDM4E (0.34) KDM4EHMGCRMAPTMEN1KMT2A
SCHEMBL6936437 0.82 HPGD (0.48) KDM4EHMGCRMAPTMEN1KMT2A
SCHEMBL6936909 0.82 PPARG (0.43) MAPTLMNAPPARGPPARDPPARA
SCHEMBL2051289 0.79 ALDH1A1 (0.48) KDM4EALDH1A1HPGDPTGS1CYP3A4
SCHEMBL9246415 0.79 MAPT (0.54) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL3675060 0.78 HMGCR (0.56) KDM4EHMGCRMAPTMEN1KMT2A

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 KDM4E 1505/4885HMGCR 4711/4885MAPT 3438/4885
US-20050256103-A1 Indole derivative having piperidine ring HTR5A, HTR2C, HTR1A KDM4E 1558/4885HMGCR 4641/4885MAPT 3401/4885

“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.