SCHEMBL6879412

SCHEMBL6879412

CCOC(=O)C=Cc1cc(-c2ccc(OC)c(C(C)(C)C)c2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.46
HSD17B1 P14061 2/20 0.45
HSD17B2 P37059 2/20 0.45
CYP3A4 P08684 2/20 0.45
MAOB P27338 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RARA P10276 1/20 0.44
RARB P10826 1/20 0.44
RARG P13631 1/20 0.44
ACHE P22303 4/20 0.39
BCHE P06276 3/20 0.39
ESR1 P03372 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
TTR P02766 1/20 0.38
DPP4 P27487 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL6879410 1.00 FDPS (0.46) FDPSHSD17B1HSD17B2CYP3A4MAOB
SCHEMBL6877448 0.85 RARA (0.51) RARARARBRARGALDH1A1KDM4E
SCHEMBL6877452 0.85 RARA (0.51) RARARARBRARGALDH1A1KDM4E
SCHEMBL6878249 0.85 HSD17B1 (0.47) FDPSHSD17B1HSD17B2CYP3A4MAOB
SCHEMBL6878247 0.85 HSD17B1 (0.47) FDPSHSD17B1HSD17B2CYP3A4MAOB
SCHEMBL6879653 0.84 FDPS (0.50) FDPSHSD17B1HSD17B2CYP3A4MAOB
SCHEMBL6879655 0.84 FDPS (0.50) FDPSHSD17B1HSD17B2CYP3A4MAOB
SCHEMBL6879550 0.77 RARA (0.48) CYP3A4RARARARBRARGALDH1A1
SCHEMBL29566975 0.73 FDPS (0.56) FDPSCYP3A4MAOBRARARARB
SCHEMBL6871319 0.73 RARA (0.47) HSD17B2RARARARBRARGMAPT

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 948/4885HSD17B1 490/4885HSD17B2 538/4885
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 1586/4885HSD17B1 197/4885HSD17B2 272/4885

“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.