SCHEMBL4411079

SCHEMBL4411079

Cc1cc2c(cc1C(=O)CO)C(C)(C)CC(C)C2(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 6/20 0.49
RXRA P19793 18/20 0.39
RXRG P48443 12/20 0.39
RXRB P28702 11/20 0.39
RARB P10826 6/20 0.39
RARA P10276 3/20 0.39
CYP26A1 O43174 2/20 0.37
CYP26B1 Q9NR63 2/20 0.37
MEN1 O00255 1/20 0.37
ABCB11 O95342 1/20 0.37
ESR1 P03372 1/20 0.37
PGR P06401 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL27845308 0.89 RARG (0.49) RARGRXRARXRGRXRBRARB
SCHEMBL12620743 0.88 RARG (0.48) RARGRXRARXRGRXRBRARB
SCHEMBL15391839 0.88 RARG (0.48) RARGRXRARXRGRXRBRARB
SCHEMBL14414059 0.84 RARG (0.58) RARGRXRARXRGRXRBRARB
SCHEMBL9299399 0.84 RARG (0.52) RARGRXRARXRGRXRBRARB
SCHEMBL23633279 0.84 RARG (0.52) RARGRXRARXRGRXRBRARB
SCHEMBL10689218 0.84 RARG (0.52) RARGRXRARXRGRXRBRARB
SCHEMBL110818 0.84 RARG (0.52) RARGRXRARXRGRXRBRARB
SCHEMBL29357179 0.84 RARG (0.52) RARGRXRARXRGRXRBRARB
SCHEMBL31423411 0.82 RARG (0.44) RARGRXRARXRGRXRBRARB

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-1146033-B1 Fragrance precursors GIVAUDAN SA (CH) 2009-12-23 EP disclosed
US-6492563-B2 PROVIDES NON-VOLATILE PRECURSORS FOR VOLATILE FRAGRANT ESTERS FOR USE IN DETERGENT, A FABRIC SOFTENER, A WINDOW CLEANER, A HARD SURFACE CLEANER, AN ALL PURPOSE CLEANER, A FURNITURE POLISH, A SHAMPOO, A CONDITIONER, AN HAIRSPRAY, A COSMETIC GIVAUDAN SA (CH) 2002-12-10 US disclosed
US-20020077508-A1 Fragrance precursors GIVAUDAN SA (CH) 2002-06-20 US disclosed
EP-1146033-A2 Fragrance precursors Givaudan SA (CH) 2001-10-17 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-20020077508-A1 Fragrance precursors ADH5, FAAH, CBR3 RARG 1086/4885RXRA 917/4885RXRG 1098/4885

“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.