SCHEMBL3089961

SCHEMBL3089961

CSCCCOc1ccc(-c2cc(CO)c(C)o2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 13/20 0.42
CYP1A2 P05177 2/20 0.39
CYP19A1 P11511 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 2/20 0.37
CYP3A4 P08684 1/20 0.37
ABCB1 P08183 2/20 0.36
ABCC1 P33527 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
GSK3B P49841 1/20 0.35
SMPD1 P17405 1/20 0.34

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
SCHEMBL3113388 0.79 ABCB1 (0.40) PTGER4CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL3112745 0.78 EGFR (0.51) PTGER4CYP19A1CYP2C9CYP2C19CYP3A4
SCHEMBL2240169 0.74 MAOB (0.42) CYP1A2CYP2C19
SCHEMBL3109737 0.73 HRH3 (0.40) CYP1A2CYP19A1CYP2C9CYP2C19CYP2D6
SCHEMBL3098664 0.73 PTGER4 (0.51) PTGER4
SCHEMBL3095617 0.72 ABCB1 (0.41) PTGER4CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL2240830 0.71 NPC1 (0.55) PTGER4
SCHEMBL3106540 0.71 GABRP (0.41) CYP1A2
SCHEMBL3069277 0.71 PDCD1 (0.46) PTGER4CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL12356651 0.69 PTGER4 (0.37) PTGER4CYP1A2CYP2C9CYP2C19

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 PTGER4 1524/4885CYP1A2 1570/4885CYP19A1 352/4885

“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.