SCHEMBL6873288

SCHEMBL6873288

CCCCCOc1cc2c(cc1[Se]C#Cc1ccc(C(=O)OCC)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.44
HNF4A P41235 4/20 0.44
RARA P10276 5/20 0.41
RARB P10826 5/20 0.41
RARG P13631 3/20 0.41
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 1/20 0.41
PPARG P37231 1/20 0.41
NR1H3 Q13133 1/20 0.41
CYP26A1 O43174 1/20 0.38
CRABP2 P29373 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38

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
SCHEMBL6879463 0.90 RXRA (0.56) RXRAHNF4ARARARARBRARG
SCHEMBL6883329 0.88 RARA (0.42) RXRAHNF4ARARARARBRARG
SCHEMBL6881530 0.86 RARG (0.46) RXRAHNF4ARARARARBRARG
SCHEMBL6881529 0.83 RARA (0.39) RXRAHNF4ARARARARBRARG
SCHEMBL7561601 0.76 RXRA (0.41) RXRAHNF4ARARARARBRARG
SCHEMBL6473487 0.76 RXRA (0.41) RXRAHNF4ARARARARBRARG
SCHEMBL6880689 0.76 RARG (0.52) RXRAHNF4ARARARARBRARG
SCHEMBL6876634 0.75 RARG (0.58) RXRAHNF4ARARARARBRARG
SCHEMBL6032681 0.74 L3MBTL1 (0.43) RXRAHNF4ARARARARBRARG
SCHEMBL6032585 0.74 RXRA (0.44) RXRAHNF4ARARARARBRARG

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 9 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
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
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

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 RXRA 54/4885HNF4A 2534/4885RARA 437/4885
US-20030100583-A1 Bi-aromatic compounds linked via a heteroethylene radical, and pharmaceutical and cosmetic compositions using them TYR, AHR, CYP2C19 RXRA 99/4885HNF4A 3119/4885RARA 151/4885

“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.