SCHEMBL3101023

SCHEMBL3101023

COc1cccc(-c2cc(C(Cl)CC(C)C)c(C)o2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 5/20 0.42
KDM4E B2RXH2 4/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 4/20 0.39
NPC1 O15118 4/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 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
SCHEMBL3091435 0.86 EGFR (0.44) SMN1; SMN2ALDH1A1HPGDKDM4ECYP3A4
SCHEMBL3098635 0.85 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1HPGDKDM4ECYP3A4
SCHEMBL3100893 0.83 SOS1 (0.42) ALDH1A1KDM4EMAPTKMT2ACYP1A1
SCHEMBL3106767 0.82 GABRP (0.38) MAOBMAOACYP1A1CYP1A2CYP1B1
SCHEMBL3101526 0.81 CYP11B1 (0.38) CYP3A4CYP2C9CYP1A1CYP1A2CYP1B1
SCHEMBL3095587 0.81 POLB (0.35) HPGDHSD17B10MAPTTSHR
SCHEMBL3102377 0.78 KDM4E (0.36) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL3106697 0.76 KDM4E (0.40) SMN1; SMN2ALDH1A1HPGDKDM4ECYP3A4
SCHEMBL3099222 0.75 GNRHR (0.37) SMN1; SMN2ALDH1A1HPGDKDM4ECYP3A4
SCHEMBL13790813 0.74 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1HPGDKDM4ECYP3A4

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 SMN1; SMN2 4692/4885ALDH1A1 3963/4885HPGD 1354/4885

“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.