SCHEMBL4032747

SCHEMBL4032747

CCCc1oc(-c2ccccc2)nc1CCl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.44
PPARA Q07869 5/20 0.44
PPARD Q03181 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.42
HRH3 Q9Y5N1 3/20 0.42
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
PDE10A Q9Y233 1/20 0.36
DGAT1 O75907 1/20 0.36

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
SCHEMBL13341901 0.87 KDM4E (0.45) PPARGPPARAPPARDALDH1A1KDM4E
SCHEMBL4034186 0.84 PPARA (0.47) PPARGPPARAPPARDALDH1A1KDM4E
SCHEMBL5111146 0.83 PPARA (0.48) PPARGPPARAPPARDALDH1A1KDM4E
SCHEMBL26062737 0.81 PPARG (0.47) PPARGPPARAPPARDALDH1A1KDM4E
SCHEMBL14382242 0.79 KDM4E (0.47) PPARGPPARAPPARDALDH1A1KDM4E
SCHEMBL6602492 0.77 SMN1; SMN2 (0.59) PPARGPPARAPPARDALDH1A1KDM4E
SCHEMBL4030907 0.77 PPARA (0.42) PPARGPPARAPPARDALDH1A1KDM4E
SCHEMBL503999 0.77 KDM4E (0.64) PPARGPPARAPPARDALDH1A1KDM4E
SCHEMBL5111340 0.76 PPARA (0.47) PPARGPPARAPPARDALDH1A1KDM4E
SCHEMBL9755249 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTHPGDNPC1

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
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK PPARG 593/4885PPARA 156/4885PPARD 754/4885

“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.