SCHEMBL4115189

SCHEMBL4115189

CC(=O)OCC1C(C=O)=CCC2C(C)(C)CCCC12C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.60
▸ CHRNB4 P30926 2/20 0.60
▸ CHRNA3 P32297 2/20 0.60
▸ CHRNA4 P43681 2/20 0.60
▸ TRPA1 O75762 1/20 0.60
▸ PLA2G2A P14555 3/20 0.54
▸ TRPM2 O94759 1/20 0.54
▸ DUSP3 P51452 6/20 0.44
▸ CDC25A P30304 5/20 0.44
▸ NR1H4 Q96RI1 1/20 0.40
▸ PTPN1 P18031 2/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ EPAS1 Q99814 2/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CHRNA7 P36544 1/20 0.38

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
SCHEMBL15874389 0.84 DUSP3 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4TRPA1
SCHEMBL15874387 0.84 DUSP3 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4TRPA1
SCHEMBL4111722 0.82 PLA2G2A (0.51) CHRNB2CHRNB4CHRNA3CHRNA4TRPA1
SCHEMBL29367218 0.81 TRPM2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4TRPA1
SCHEMBL4105636 0.76 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4TRPA1
Epipolygodial SCHEMBL21322435 0.75 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA4TRPA1
Epipolygodial SCHEMBL13855685 0.75 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA4TRPA1
Polygodial SCHEMBL21633831 0.75 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA4TRPA1
Polygodial SCHEMBL258239 0.75 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA4TRPA1
Epipolygodial SCHEMBL29370854 0.75 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA4TRPA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076136-A1 THERAPEUTIC AGENT ENOKI TATSUJI 2009-03-19 — — US claimed
US-20070060641-A1 Therapeutic agent TAKARA BIO INC. (JP) 2007-03-15 — — US claimed
EP-1627632-A1 THERAPEUTIC AGENT TAKARA BIO INC. (JP) 2006-02-22 — — EP claimed
US-20090076136-A1 THERAPEUTIC AGENT ENOKI TATSUJI 2009-03-19 — — US disclosed
US-20070060641-A1 Therapeutic agent TAKARA BIO INC. (JP) 2007-03-15 — — US disclosed
EP-1627632-A1 THERAPEUTIC AGENT TAKARA BIO INC. (JP) 2006-02-22 — — 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 (2 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-20090076136-A1 THERAPEUTIC AGENT GPR119, IAPP, FABP4 CHRNB2 4095/4885CHRNB4 3876/4885CHRNA3 4249/4885
US-20070060641-A1 Therapeutic agent GPR119, IAPP, FABP4 CHRNB2 4095/4885CHRNB4 3876/4885CHRNA3 4249/4885

“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.

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