SCHEMBL5177847

SCHEMBL5177847

COC(=O)C1C(C)CCC1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPM1B O75688 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ PPP1CC P36873 1/20 0.42
▸ CYP2C19 P33261 1/20 0.40
▸ EPHX1 P07099 3/20 0.37
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ TRPM8 Q7Z2W7 4/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ TRPA1 O75762 2/20 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
SCHEMBL31492742 0.87 CYP2C19 (0.44) PPM1BPTPN1PPP1CCCYP2C19EPHX1
SCHEMBL13204690 0.82 PPM1B (0.38) PPM1BPTPN1PPP1CCCYP2C19CHRNB2
SCHEMBL13222141 0.82 PPM1B (0.38) PPM1BPTPN1PPP1CCCYP2C19CHRNB2
SCHEMBL20995893 0.81 PPM1B (0.52) PPM1BPTPN1PPP1CCCYP2C19CHRNB2
SCHEMBL14029643 0.78 EPHX1 (0.40) PPM1BPTPN1PPP1CCEPHX1TRPM8
SCHEMBL4617338 0.78 EPHX1 (0.40) PPM1BPTPN1PPP1CCEPHX1TRPM8
SCHEMBL14544418 0.78 EPHX1 (0.40) PPM1BPTPN1PPP1CCEPHX1TRPM8
SCHEMBL14029653 0.78 EPHX1 (0.40) PPM1BPTPN1PPP1CCEPHX1TRPM8
SCHEMBL14047812 0.78 EPHX1 (0.40) PPM1BPTPN1PPP1CCEPHX1TRPM8
SCHEMBL14029612 0.78 EPHX1 (0.40) EPHX1TRPM8TRPV1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1331861-C Production of dihydronepetalactone by hydrogenation of nepetalactone DU PONT (US) 2007-08-15 — — CN disclosed
EP-1490351-B1 PRODUCTION OF DIHYDRONEPETALACTONE BY HYDROGENATION OF NEPETALACTONE DU PONT (US) 2007-06-06 — — EP disclosed
US-7067677-B2 Production of dihydronepetalactone by hydrogenation of nepetalactone E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-06-27 — — US disclosed
CN-1642935-A Production of dihydronepetalactone by hydrogenation of nepetalactone DU PONT (US) 2005-07-20 — — CN disclosed
EP-1490351-A1 PRODUCTION OF DIHYDRONEPETALACTONE BY HYDROGENATION OF NEPETALACTONE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-12-29 — — EP disclosed
US-20030225290-A1 Production of dihydronepetalactone by hydrogenation of nepetalactone 1,4Group, Inc. 2003-12-04 — — US disclosed
WO-2003084946-A1 PRODUCTION OF DIHYDRONEPETALACTONE BY HYDROGENATION OF NEPETALACTONE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-10-16 — — WO 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-20030225290-A1 Production of dihydronepetalactone by hydrogenation of nepetalactone MME, NQO1, GNPAT PPM1B 3904/4885PTPN1 4753/4885PPP1CC 2874/4885

“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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