SCHEMBL6880689

SCHEMBL6880689

COCOc1cc2c(cc1[Se]C#Cc1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARG P13631 8/20 0.52
CYP26A1 O43174 5/20 0.52
CYP3A4 P08684 4/20 0.52
RARB P10826 4/20 0.52
RARA P10276 3/20 0.52
CRABP2 P29373 1/20 0.52
RXRA P19793 8/20 0.47
HNF4A P41235 2/20 0.47
CYP26B1 Q9NR63 3/20 0.46
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42

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
SCHEMBL6876634 0.92 RARG (0.58) RARGCYP26A1CYP3A4RARBRARA
SCHEMBL6876630 0.89 CYP26A1 (0.47) RARGCYP26A1CYP3A4RARBRARA
SCHEMBL6883329 0.88 RARA (0.42) RARGCYP26A1CYP3A4RARBRARA
SCHEMBL6879463 0.86 RXRA (0.56) RARGCYP26A1CYP3A4RARBRARA
SCHEMBL6883506 0.83 RARG (0.47) RARGCYP26A1CYP3A4RARBRARA
SCHEMBL6881530 0.81 RARG (0.46) RARGCYP26A1CYP3A4RARBRARA
SCHEMBL2910172 0.80 RARB (0.61) RARGCYP26A1CYP3A4RARBRARA
SCHEMBL6881529 0.78 RARA (0.39) RARGCYP26A1CYP3A4RARBRARA
SCHEMBL6873288 0.76 RXRA (0.44) RARGCYP26A1CYP3A4RARBRARA
SCHEMBL6032623 0.76 RARG (0.61) RARGCYP26A1CYP3A4RARBRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030100583-A1 Bi-aromatic compounds linked via a heteroethylene radical, and pharmaceutical and cosmetic compositions using them GALDERMA RESEARCH & DEVELOPMENT 2003-05-29 US claimed
EP-0952975-B1 BI-AROMATIC COMPOUNDS BOUND BY A HETEROETHYNYLENE RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-07-10 EP claimed
US-20010056105-A1 Bi-aromatic compounds linked via a heteroethynylene radical, and pharmaceutical and cosmetic compositions containing them GALDERAMA RESEARCH & DEVELOPMENT. 2001-12-27 US claimed
US-6201019-B1 ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION GALDERMA RESEARCH & DEVELOPMENT (FR) 2001-03-13 US claimed
EP-0952975-A1 BI-AROMATIC COMPOUNDS BOUND BY A HETEROETHYNYLENE RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development (FR) 1999-11-03 EP claimed
WO-1999010322-A1 BI-AROMATIC COMPOUNDS BOUND BY A HETEROETHYNYLENE RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT (FR) 1999-03-04 WO claimed
US-6818666-B2 FOR EXAMPLE, METHYL 4-(5,5,8,8,-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2 -NAPHTHYLSULPHANYLETHYNYL)BENZOATE; USE IN HUMAN OR VETERINARY MEDICINE OR COSMETIC COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2004-11-16 US disclosed
US-20030100583-A1 Bi-aromatic compounds linked via a heteroethylene radical, and pharmaceutical and cosmetic compositions using them GALDERMA RESEARCH & DEVELOPMENT 2003-05-29 US disclosed
US-6441010-B2 USEFUL AS COSMETIC FOR HAIR AND BODY HYGIENE, AND FOR TREATMENT OF DERMATOLOGICAL COMPLAINTS, WITH AN INFLAMMATORY AND/OR IMMUNOALLERGIC COMPONENT OF RHEUMATIC OR RESPIRATORY TYPE, CARDIVASCULAR AND OPTHALMOGICAL DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2002-08-27 US disclosed
EP-0952975-B1 BI-AROMATIC COMPOUNDS BOUND BY A HETEROETHYNYLENE RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2002-07-10 EP disclosed
US-20010056105-A1 Bi-aromatic compounds linked via a heteroethynylene radical, and pharmaceutical and cosmetic compositions containing them GALDERAMA RESEARCH & DEVELOPMENT. 2001-12-27 US disclosed
US-6201019-B1 ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION GALDERMA RESEARCH & DEVELOPMENT (FR) 2001-03-13 US disclosed
EP-0952975-A1 BI-AROMATIC COMPOUNDS BOUND BY A HETEROETHYNYLENE RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME Galderma Research & Development (FR) 1999-11-03 EP disclosed
WO-1999010322-A1 BI-AROMATIC COMPOUNDS BOUND BY A HETEROETHYNYLENE RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RESEARCH & DEVELOPMENT (FR) 1999-03-04 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 (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-20010056105-A1 Bi-aromatic compounds linked via a heteroethynylene radical, and pharmaceutical and cosmetic compositions containing them TYR, KRT18, SCO2 RARG 583/4885CYP26A1 319/4885CYP3A4 513/4885
US-20030100583-A1 Bi-aromatic compounds linked via a heteroethylene radical, and pharmaceutical and cosmetic compositions using them TYR, AHR, CYP2C19 RARG 203/4885CYP26A1 192/4885CYP3A4 25/4885

“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.