SCHEMBL6873447

SCHEMBL6873447

COC(=O)c1ccc(C#C[Se]c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
RXRA P19793 12/20 0.38
RXRB P28702 6/20 0.38
RXRG P48443 6/20 0.38
RARB P10826 4/20 0.37
RARA P10276 3/20 0.37
RARG P13631 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP26A1 O43174 2/20 0.37
CRABP2 P29373 1/20 0.37
GAA P10253 1/20 0.37
MYC P01106 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2914854 0.88 RARB (0.44) RXRARXRBRXRGRARBRARA
SCHEMBL6872785 0.85 CYP3A4 (0.48) RXRARXRBRXRGRARBRARA
SCHEMBL6876627 0.84 CYP3A4 (0.43) CA12CA1CA2CA7PDK2
SCHEMBL19342969 0.81 RARB (0.56) CA12CA1CA2CA7PDK2
SCHEMBL6880839 0.80 RXRA (0.41) RXRARXRBRXRGRARBRARA
SCHEMBL6880676 0.79 RARA (0.41) RXRARXRBRXRGRARBRARA
SCHEMBL7713138 0.78 RXRA (0.39) CA12CA1CA2CA7PDK2
SCHEMBL2910172 0.77 RARB (0.61) RXRARXRBRXRGRARBRARA
SCHEMBL7717535 0.74 CYP3A4 (0.52) CA12CA1CA2CA7PDK2
SCHEMBL7752278 0.74 CYP3A4 (0.44) CA12CA1CA2CA7PDK2

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 CA12 3949/4885CA1 4278/4885CA2 2232/4885
US-20030100583-A1 Bi-aromatic compounds linked via a heteroethylene radical, and pharmaceutical and cosmetic compositions using them TYR, AHR, CYP2C19 CA12 4405/4885CA1 4881/4885CA2 3737/4885

“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.