SCHEMBL5218149

SCHEMBL5218149

COc1ccc(C(=O)Cl)cc1C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.56
RARB P10826 2/20 0.56
RARG P13631 2/20 0.56
WDR5 P61964 1/20 0.49
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 3/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44

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
SCHEMBL107399 0.86 NR1H4 (0.53) RARARARBRARGWDR5CYP3A4
SCHEMBL1190600 0.85 CYP2C9 (0.44) RARARARBRARGCYP3A4CYP1A2
SCHEMBL2773345 0.84 RARA (0.61) RARARARBRARGWDR5CYP3A4
SCHEMBL31325762 0.84 RARA (0.73) RARARARBRARGWDR5CYP3A4
SCHEMBL1421835 0.84 RARA (0.73) RARARARBRARGWDR5CYP3A4
SCHEMBL10428428 0.83 NR1H4 (0.48) RARARARBRARGTSHRALDH1A1
SCHEMBL5027170 0.83 MAPT (0.58) RARARARBRARGWDR5CYP3A4
SCHEMBL22601523 0.83 RARA (0.56) RARARARBRARGWDR5CYP3A4
Hydrochloric Acid SCHEMBL9131236 0.83 RARA (0.71) RARARARBRARGWDR5TSHR
SCHEMBL8839075 0.82 RARA (0.44) RARARARBRARGWDR5CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259163-B2 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as HCV inhibitors GLAXO GROUP LIMITED (GB) 2007-08-21 US disclosed
EP-1440069-B1 4-(6-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LTD (GB) 2007-08-15 EP disclosed
US-20050043390-A1 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as hcv inhibitors GLAXO GROUP LIMITED (GB) 2005-02-24 US disclosed
EP-1440069-A1 4-(6-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-28 EP disclosed
WO-2003037895-A1 4-(6-MEMBERED)-HETEROARYL ACYL PYRROLIDINE DERIVATIVES AS HCV INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-08 WO disclosed
US-6368608-B1 SKIN DISORDERS CENTRE INTERNATIONAL DE RECHERCHE DERMATOLOGIQUES GALDERMA (C.I.R.D.) (FR) 2002-04-09 US disclosed
US-6162445-A Polyaromatic propynyl compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-12-19 US disclosed
US-5869067-A TREATING DERMATOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1999-02-09 US disclosed
US-5753239-A Bi-aromatic compounds and pharmaceutical and cosmetic compositions CENTRE INTERNATIONAL DE RECHERCHES DEMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1998-05-19 US disclosed
US-5716624-A USEFUL FOR TREATING DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, OPTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS/DISORDERS C.I.R.D. GALDERMA (FR) 1998-02-10 US disclosed
US-5439925-A Skin disorders, rheumatic diseases CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-08-08 US disclosed
US-5428052-A Classifiable as retinoids; skin disorders, corneopathy CENTRE INTERNATIONALE DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1995-06-27 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
US-5288744-A Tetramethyltetrahydronaphthyl benzothiazole for treating skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1994-02-22 US disclosed
US-5260295-A Retinoic acid derivatives, cosmetics, skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1993-11-09 US disclosed
US-5059621-A Treatment of dermatologic ailments linked to keratinization disorder CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1991-10-22 US disclosed
US-4927835-A ANTIPYRETICS NIPPON SHINYAKU CO., LTD. (JP) 1990-05-22 US disclosed
US-4920140-A Skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1990-04-24 US disclosed
EP-0331195-A2 Acylphenol derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1989-09-06 EP disclosed
US-4740519-A Benzo (b) thiophene carboxylate derivatives and pharmaceutical compositions CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1988-04-26 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 (1 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-20050043390-A1 4-(6-membered)-heteroaryl acyl pyrrolidine derivatives as hcv inhibitors NR1H3, NR1H2, NR1I3 RARA 1396/4885RARB 1180/4885RARG 1337/4885

“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.