SCHEMBL3546404

SCHEMBL3546404

CC1(C)CCC(C)(C)c2cc(CS)ccc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.53
RXRB P28702 6/20 0.53
RXRG P48443 5/20 0.53
CYP26B1 Q9NR63 8/20 0.50
CYP26A1 O43174 7/20 0.50
RARA P10276 3/20 0.44
RARB P10826 3/20 0.44
RARG P13631 3/20 0.44
PPARG P37231 2/20 0.42
CYP3A4 P08684 1/20 0.40

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
SCHEMBL3176733 0.82 RXRA (0.54) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL2095481 0.80 RXRA (0.57) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL694638 0.80 RXRA (0.53) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL1616186 0.80 RXRA (0.53) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL12743622 0.80 RXRA (0.53) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL2312146 0.80 RXRA (0.53) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL14286073 0.80 RXRA (0.53) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL2897524 0.78 CYP26B1 (0.53) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL16998630 0.77 CYP26B1 (0.51) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL4440994 0.77 RARA (0.56) RXRARXRBRXRGCYP26B1CYP26A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
EP-2061760-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS Amgen, Inc (US) 2009-05-27 EP disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
WO-2008030618-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2008-03-13 WO disclosed
US-5688817-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, IMMUNOLOGY AND RHEUMATIC DISORDERS CENTRE INT'L. DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1997-11-18 US disclosed
US-5668156-A TREATMENT OF WARTS, ACNE, PSORIASIS, CORNEOPATHIES, KETONES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-09-16 US disclosed
US-5597839-A TREATMENT OF SKIN DISORDERS OR ANTIINFLAMMATORY AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-01-28 US disclosed
US-5567721-A AROMATIC UREA COMPOUND FOR SKIN DISORDER, RHEUMATIC DISEASE, RESPIRATORY DISORDER AND EYE DISORDER CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 1996-10-22 US disclosed
US-5439925-A Skin disorders, rheumatic diseases CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-08-08 US disclosed
US-5387594-A Administering for topical and systemic treatment of CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-02-07 US disclosed
EP-0552282-B1 BI-AROMATIC COMPOUNDS AND THEIR USE IN HUMAN AND VETERINARY MEDECINE AND IN COSMETIC PREPARATIONS CIRD GALDERMA (FR) 1994-08-24 EP disclosed
EP-0552282-A1 BI-AROMATIC COMPOUNDS AND THEIR USE IN HUMAN AND VETERINARY MEDECINE AND IN COSMETIC PREPARATIONS. CIRD GALDERMA (FR) 1993-07-28 EP disclosed
WO-1992006948-A1 BI-AROMATIC COMPOUNDS AND THEIR USE IN HUMAN AND VETERINARY MEDECINE AND IN COSMETIC PREPARATIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-04-30 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-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders GOT2, PC, GLS2 RXRA 311/4885RXRB 329/4885RXRG 222/4885
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS GOT2, GLS2, PC RXRA 150/4885RXRB 211/4885RXRG 131/4885

“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.