SCHEMBL6876542

SCHEMBL6876542

COc1ccc(-c2ccc(/C=C/C(=O)O)s2)cc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.50
KMT2A Q03164 2/20 0.50
RARA P10276 2/20 0.48
RARB P10826 2/20 0.48
RARG P13631 2/20 0.48
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALOX15 P16050 1/20 0.44
TNFRSF1A P19438 3/20 0.43
HTR1A P08908 1/20 0.42
HTR2C P28335 1/20 0.42
LDHA P00338 1/20 0.39
PKM P14618 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39

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
SCHEMBL6876543 1.00 MAPK1 (0.50) MAPK1KMT2ARARARARBRARG
SCHEMBL6878249 0.85 HSD17B1 (0.47) RARARARBRARGALDH1A1TNFRSF1A
SCHEMBL6878247 0.85 HSD17B1 (0.47) RARARARBRARGALDH1A1TNFRSF1A
SCHEMBL6877448 0.83 RARA (0.51) MAPK1KMT2ARARARARBRARG
SCHEMBL6877452 0.83 RARA (0.51) MAPK1KMT2ARARARARBRARG
SCHEMBL6874825 0.82 RARA (0.45) RARARARBRARGALDH1A1TNFRSF1A
SCHEMBL6878038 0.80 KDM4E (0.49) MAPK1KMT2ARARARARBRARG
SCHEMBL6878037 0.80 KDM4E (0.49) MAPK1KMT2ARARARARBRARG
SCHEMBL7024481 0.79 RARA (0.58) KMT2ARARARARBRARGKDM4E
SCHEMBL5207252 0.78 MAPK1 (0.59) MAPK1KMT2AKDM4EALDH1A1HPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825360-B1 Bicyclic aromatic compounds GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-11-30 US claimed
EP-0832081-B1 BICYCLIC-AROMATIC COMPOUNDS GALDERMA RECH DERMATOLOGIQUE (FR) 2003-01-29 EP claimed
US-6825360-B1 Bicyclic aromatic compounds GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-11-30 US disclosed
US-20030135053-A1 For use in human or veterinary conditions, that may be dermatological, rheumatic, respiratory, or cardiovascular and may be used in cosmetics BERNARDON JEAN-MICHEL 2003-07-17 US disclosed
US-20030060491-A1 Bicyclic aromatic compounds BERNARDON JEAN-MICHEL (FR) 2003-03-27 US disclosed
US-6515021-B1 Bicyclic aromatic compounds CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2003-02-04 US disclosed
EP-0832081-B1 BICYCLIC-AROMATIC COMPOUNDS GALDERMA RECH DERMATOLOGIQUE (FR) 2003-01-29 EP disclosed
US-6147255-A TOPICAL AND SYSTEMIC TREATMENT OF DERMATOLOGICAL COMPLAINTS ASSOCIATED WITH KERATINIZATION DISORDER WHICH HAS EFFECT ON DIFFERENTIATION AND ON PROLIFERATION CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-11-14 US disclosed
EP-0832081-A1 BICYCLIC-AROMATIC COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1998-04-01 EP disclosed
WO-1997033881-A1 BICYCLIC-AROMATIC COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-09-18 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-20030060491-A1 Bicyclic aromatic compounds MITF, TYR, PAH MAPK1 3293/4885KMT2A 3039/4885RARA 451/4885
US-20030135053-A1 For use in human or veterinary conditions, that may be dermatological, rheumatic, respiratory, or cardiovascular and may be used in cosmetics MITF, TYR, PAH MAPK1 3334/4885KMT2A 2994/4885RARA 52/4885

“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.