SCHEMBL3098635

SCHEMBL3098635

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 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 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 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
SCHEMBL3106856 0.86 HPGD (0.47) SMN1; SMN2ALDH1A1HPGDKDM4ECYP3A4
SCHEMBL3101023 0.85 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1HPGDKDM4ECYP3A4
SCHEMBL3095057 0.83 ALDH1A1 (0.39) ALDH1A1HPGDKDM4ECYP3A4HSD17B10
SCHEMBL3098646 0.82 SLC9A1 (0.41) ALDH1A1KDM4EMAPK1TP53MAPT
SCHEMBL3101400 0.82 NR4A1 (0.39) MAOBMAOASLC9A1CYP1A1CYP1A2
SCHEMBL3095195 0.81 CYP11B1 (0.38) SMN1; SMN2ALDH1A1HPGDKDM4ECYP3A4
SCHEMBL3098641 0.81 CA12 (0.40) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL3109147 0.78 CA12 (0.38) SMN1; SMN2ALDH1A1HPGDKDM4EMAPT
SCHEMBL3102029 0.76 PPARD (0.45) SMN1; SMN2ALDH1A1HPGDTP53MEN1
SCHEMBL3101018 0.76 CA12 (0.45) ALDH1A1HPGDKDM4ECYP3A4RECQL

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.