SCHEMBL6879655

SCHEMBL6879655

CCOC(=O)C=Cc1csc(-c2ccc(OC)c(C(C)(C)C)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.50
MAOB P27338 1/20 0.49
ACHE P22303 4/20 0.42
BCHE P06276 3/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
TTR P02766 2/20 0.42
DPP4 P27487 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TNFRSF1A P19438 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL6879653 1.00 FDPS (0.50) FDPSMAOBACHEBCHECYP3A4
SCHEMBL6878037 0.85 KDM4E (0.49) TNFRSF1ACA12CA1CA2CA7
SCHEMBL6878038 0.85 KDM4E (0.49) TNFRSF1ACA12CA1CA2CA7
SCHEMBL6879412 0.84 FDPS (0.46) FDPSMAOBACHEBCHECYP3A4
SCHEMBL6879410 0.84 FDPS (0.46) FDPSMAOBACHEBCHECYP3A4
SCHEMBL6878247 0.82 HSD17B1 (0.47) FDPSMAOBACHEBCHECYP3A4
SCHEMBL6878249 0.82 HSD17B1 (0.47) FDPSMAOBACHEBCHECYP3A4
SCHEMBL6871319 0.79 RARA (0.47) HSD17B2TNFRSF1ARARARARBRARG
SCHEMBL6870705 0.78 RARA (0.44) FDPSCYP3A4TTRTNFRSF1ARARA
SCHEMBL29566975 0.77 FDPS (0.56) FDPSMAOBACHEBCHECYP3A4

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 5 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 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
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

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 FDPS 948/4885MAOB 108/4885ACHE 1950/4885
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 FDPS 1586/4885MAOB 111/4885ACHE 1289/4885

“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.