SCHEMBL6879238

SCHEMBL6879238

COC(=O)c1ccc(C#C[Se]c2cccc3c2SCCC3(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.42
RARG P13631 9/20 0.42
RARA P10276 8/20 0.42
CYP3A4 P08684 6/20 0.38
KMT2A Q03164 1/20 0.36
CYP26A1 O43174 4/20 0.35
PTPN11 Q06124 1/20 0.35
CRABP2 P29373 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL6882380 0.89 RARB (0.46) RARBRARGRARACYP3A4CYP26A1
SCHEMBL6882515 0.85 RARB (0.43) RARBRARGRARACYP3A4KMT2A
SCHEMBL6341156 0.80 RARA (0.42) RARBRARGRARACYP3A4KMT2A
SCHEMBL6872785 0.75 CYP3A4 (0.48) RARBRARGRARACYP3A4KMT2A
SCHEMBL6876614 0.73 RARB (0.46) RARBRARGRARACYP3A4CYP26A1
SCHEMBL6879098 0.72 CYP3A4 (0.55) RARBRARGRARACYP3A4KMT2A
SCHEMBL6879242 0.71 PTPN11 (0.33) RARBRARGRARACYP3A4PTPN11
SCHEMBL4942693 0.71 CYP3A4 (0.43) RARBRARGRARACYP3A4CYP26A1
SCHEMBL6032634 0.69 RXRA (0.43) RARBRARGRARACYP3A4CYP26A1
SCHEMBL6032638 0.68 RARA (0.30) RARBRARGRARA

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-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 claimed
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-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 RARB 680/4885RARG 583/4885RARA 437/4885
US-20030100583-A1 Bi-aromatic compounds linked via a heteroethylene radical, and pharmaceutical and cosmetic compositions using them TYR, AHR, CYP2C19 RARB 312/4885RARG 203/4885RARA 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.