SCHEMBL2426403

SCHEMBL2426403

CC(=O)/C=C/CC1CC=C(C)C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2426407 1.00 USP2 (0.35) USP2NPSR1MEN1KMT2AHIF1A
SCHEMBL2706115 0.87 NPSR1 (0.35) USP2NPSR1ALDH1A1CYP3A4ALOX15
SCHEMBL2707257 0.87 NPSR1 (0.35) USP2NPSR1ALDH1A1CYP3A4ALOX15
SCHEMBL2706119 0.87 NPSR1 (0.35) USP2NPSR1ALDH1A1CYP3A4ALOX15
SCHEMBL4458950 0.84 ALDH1A1 (0.43) USP2NPSR1ALDH1A1CYP3A4ALOX15
SCHEMBL4458952 0.84 ALDH1A1 (0.43) USP2NPSR1ALDH1A1CYP3A4ALOX15
SCHEMBL2424997 0.82 TBXAS1 (0.33) USP2NPSR1
SCHEMBL2707782 0.82 TTR (0.40) USP2NPSR1ALDH1A1CYP3A4
SCHEMBL2707781 0.82 TTR (0.40) USP2NPSR1ALDH1A1CYP3A4
SCHEMBL2425000 0.82 TBXAS1 (0.33) USP2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094650-B1 USE OF CAMPHOLENIC DERIVATIVES AS FRAGRANT INGREDIENTS IN PERFUMERY AND FLAVOURING MANE FILS V (FR) 2011-09-21 EP disclosed
US-20080138482-A1 USE OF NEW CAMPHOLENIC DERIVATIVES AS FRAGRANT INGREDIENTS IN PERFUMERY AND FLAVOURING V. MANE FILS (FR) 2008-06-12 US disclosed
EP-1930317-A1 Use of campholenic derivatives as fragrant ingredients in perfumery and flavouring V. Mane Fils (FR) 2008-06-11 EP disclosed
EP-0801049-B1 Cyclopentanebutanol derivatives as odorants GIVAUDAN SA (CH) 2001-11-21 EP disclosed
US-6239314-B1 ORGANOLEPTIC COMPOUND GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-05-29 US disclosed
US-6235943-B1 CYCLIC UNSATURATED ALDEHYDES OR KETONES GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2001-05-22 US disclosed
US-6162954-A Odorants GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2000-12-19 US disclosed
US-5929291-A SYNTHETIC PERFUME GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 1999-07-27 US disclosed
EP-0801049-A2 Cyclopentanebutanol derivatives as odorants GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1997-10-15 EP disclosed
EP-0203528-B1 CYCLOPENTENE DERIVATIVES AND THEIR USE AS ODORANTS L. GIVAUDAN & CIE Société Anonyme (CH) 1990-08-01 EP disclosed
US-4696766-A FRAGRANCES GIVAUDAN CORPORATION (US) 1987-09-29 US disclosed
EP-0203528-A2 Cyclopentene derivatives and their use as odorants L. GIVAUDAN & CIE Société Anonyme (CH) 1986-12-03 EP disclosed
US-4052341-A 3-METHYL-5-(2,2,3-TRIMETHYLCYCLOPENT-3-EN-1-YL)PENTAN-2-OL COMPOUND AND PERFUME COMPOSITIONS GIVAUDAN CORPORATION (US) 1977-10-04 US 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-20080138482-A1 USE OF NEW CAMPHOLENIC DERIVATIVES AS FRAGRANT INGREDIENTS IN PERFUMERY AND FLAVOURING C5, C3AR1, PDE6D USP2 3867/4885NPSR1 2895/4885MEN1 3602/4885

“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.