SCHEMBL3090892

SCHEMBL3090892

COc1ccc(F)c(-c2cc(C=O)c(C)o2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
ERN1 O75460 4/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
TRIM24 O15164 1/20 0.43
TYR P14679 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
CYP1A2 P05177 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CYP2C19 P33261 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
APP P05067 1/20 0.37
CA12 O43570 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
SCHEMBL3107575 0.82 ALDH1A1 (0.46) ALDH1A1ERN1KDM4EMAPTNPC1
SCHEMBL3106747 0.77 EGFR (0.57) ALDH1A1ERN1KDM4EMAPTNPC1
SCHEMBL3104478 0.75 PDE4B (0.40) ALDH1A1ERN1KDM4ENFE2L2PDE4B
SCHEMBL387186 0.74 ERN1 (0.61) ALDH1A1ERN1KDM4EMAPTTRIM24
SCHEMBL17240967 0.74 ALDH1A1 (0.47) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL3112770 0.74 ERN1 (0.45) ALDH1A1ERN1KDM4ENFE2L2HPGD
SCHEMBL3091522 0.74 ALDH1A1 (0.52) ALDH1A1ERN1KDM4EMAPTNPC1
SCHEMBL3106956 0.73 ERN1 (0.55) ALDH1A1ERN1KDM4EMAPTNPC1
SCHEMBL15972269 0.72 ERN1 (0.47) ALDH1A1ERN1KDM4EMAPTNPC1
SCHEMBL3095434 0.72 SLC9A1 (0.36) ALDH1A1ERN1KDM4EPDE3BPDE3A

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-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR ALDH1A1 3963/4885ERN1 1620/4885KDM4E 2280/4885

“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.