SCHEMBL6340989

SCHEMBL6340989

CC1(C)CCSc2c(C#CCc3ccc(C(=O)O)cc3)cccc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
RARB P10826 12/20 0.40
RARG P13631 11/20 0.40
RARA P10276 9/20 0.40
CYP26A1 O43174 3/20 0.39
CYP3A4 P08684 2/20 0.39
CRABP2 P29373 1/20 0.39
SSTR5 P35346 1/20 0.37
CYP26B1 Q9NR63 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
SCHEMBL6342596 0.84 RARB (0.45) RXRARXRBRXRGRARBRARG
SCHEMBL6338647 0.82 RXRA (0.49) RXRARXRBRXRGRARBRARG
SCHEMBL6340315 0.81 RARB (0.46) RXRARXRBRARBRARGRARA
SCHEMBL7471196 0.75 CYP3A4 (0.56) RXRARXRBRXRGRARBRARG
SCHEMBL6882380 0.72 RARB (0.46) RXRARARBRARGRARACYP26A1
SCHEMBL6032634 0.72 RXRA (0.43) RXRARXRBRXRGRARBRARG
SCHEMBL6340966 0.72 RARB (0.36) RXRARARBRARGRARACYP26A1
SCHEMBL6339579 0.71 RARB (0.45) RXRARARBRARGRARACYP26A1
SCHEMBL6341156 0.70 RARA (0.42) RARBRARGRARACYP26A1CYP3A4
Terephthalic Acid SCHEMBL27259373 0.70 RARB (0.60) RXRARXRBRXRGRARBRARG

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
US-6849658-B2 Biaromatic compounds and pharmaceutical and cosmetic compositions comprising them GALDERMA RESEARCH & DEVELOPMENT (FR) 2005-02-01 US claimed
US-20030216586-A1 Biaromatic compounds and pharmaceutical and cosmetic compositions comprising them GALDERMA RESEARCH & DEVELOPMENT 2003-11-20 US claimed
EP-0977749-B1 BI-AROMATIC COMPOUNDS AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-03-13 EP claimed
US-6849658-B2 Biaromatic compounds and pharmaceutical and cosmetic compositions comprising them GALDERMA RESEARCH & DEVELOPMENT (FR) 2005-02-01 US disclosed
US-20030216586-A1 Biaromatic compounds and pharmaceutical and cosmetic compositions comprising them GALDERMA RESEARCH & DEVELOPMENT 2003-11-20 US disclosed
US-6346546-B1 COMPOUNDS HAVING MARKED ACTIVITY IN FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION; TREATING SKIN DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2002-02-12 US disclosed
US-6103762-A A BIAROMATIC COMPOUNDS IN WHICH THE AROMATIC NUCLEI ARE CONNECTED BY A PROPYNYLENE OR ALLENYLENE DIVALENT RADICAL, USEFUL AS HUMAN OR VETERINARY MEDICINE OR USED IN COSMETICS OR KERATINIZATION DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2000-08-15 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-20030216586-A1 Biaromatic compounds and pharmaceutical and cosmetic compositions comprising them AR, SRR, MC3R RXRA 37/4885RXRB 67/4885RXRG 78/4885

“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.