SCHEMBL3209182

SCHEMBL3209182

CCOc1cccc(C(CC)On2nc(C(=O)O)c3c2-c2ccc(OCc4cncnc4)cc2CC3)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.34
▸ ROCK2 O75116 3/20 0.34
▸ TP53 P04637 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ BCL2 P10415 2/20 0.32
▸ MDM2 Q00987 2/20 0.32
▸ MCL1 Q07820 2/20 0.32
▸ GPR132 Q9UNW8 1/20 0.32

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
SCHEMBL29922027 0.87 ROCK2 (0.34) FFAR1ROCK2TP53PKMNFKB1
SCHEMBL1150210 0.87 ROCK2 (0.34) FFAR1ROCK2TP53PKMNFKB1
SCHEMBL7917122 0.87 ROCK2 (0.34) FFAR1ROCK2TP53PKMNFKB1
SCHEMBL7913269 0.86 ROCK2 (0.34) ROCK2TP53PKMNFKB1NFKB2
SCHEMBL7913240 0.85 ROCK2 (0.34) FFAR1ROCK2TP53PKMNFKB1
SCHEMBL7911557 0.84 FFAR1 (0.35) FFAR1ROCK2TP53PKMNFKB1
SCHEMBL7911578 0.84 BCL2 (0.35) FFAR1ROCK2TP53PKMNFKB1
SCHEMBL7903224 0.84 CYP19A1 (0.34) FFAR1ROCK2TP53PKMNFKB1
SCHEMBL795594 0.82 ROCK2 (0.34) FFAR1ROCK2TP53PKMNFKB1
SCHEMBL7913410 0.82 FFAR1 (0.36) FFAR1ROCK2S1PR1

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
US-20100040666-A1 Method for Control of Drug Elution Rate and Composition for Coating of Drug-Eluting Stent TOKYO MEDICAL AND DENTAL UNIVERSITY (JP) 2010-02-18 — — US claimed
EP-1894582-A1 METHOD FOR CONTROL OF DRUG ELUTION RATE AND COMPOSITION FOR COATING OF DRUG-ELUTING STENT Tokyo Medical and Dental University (JP) 2008-03-05 — — EP claimed
US-20100040666-A1 Method for Control of Drug Elution Rate and Composition for Coating of Drug-Eluting Stent TOKYO MEDICAL AND DENTAL UNIVERSITY (JP) 2010-02-18 — — US disclosed
EP-1894582-A1 METHOD FOR CONTROL OF DRUG ELUTION RATE AND COMPOSITION FOR COATING OF DRUG-ELUTING STENT Tokyo Medical and Dental University (JP) 2008-03-05 — — 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-20100040666-A1 Method for Control of Drug Elution Rate and Composition for Coating of Drug-Eluting Stent EDNRB, EDNRA, EPHB2 FFAR1 394/4885ROCK2 964/4885TP53 4737/4885

“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.

Send feedback