SCHEMBL6478560

SCHEMBL6478560

COC(=O)/C=C/c1cccc(-c2ccc3c(c2OCc2ccccc2)C(C)(C)CCC3(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
NQO1 P15559 1/20 0.40
IP6K1 Q92551 1/20 0.39
IP6K3 Q96PC2 1/20 0.39
IP6K2 Q9UHH9 1/20 0.39
LMNA P02545 1/20 0.39
BACE1 P56817 1/20 0.39
AKR1B10 O60218 2/20 0.39
AKR1B1 P15121 2/20 0.39
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL6478564 1.00 BCHE (0.43) BCHEALDH1A1KDM4EPKMNQO1
SCHEMBL6472750 0.92 KDM4E (0.52) BCHEALDH1A1KDM4EPKMLMNA
SCHEMBL6472753 0.92 KDM4E (0.52) BCHEALDH1A1KDM4EPKMLMNA
SCHEMBL6479867 0.91 LMNA (0.42) BCHEALDH1A1KDM4EPKMLMNA
SCHEMBL6479871 0.91 LMNA (0.42) BCHEALDH1A1KDM4EPKMLMNA
SCHEMBL6473810 0.82 TTR (0.42) ALDH1A1KDM4ENQO1IP6K1IP6K3
SCHEMBL6473808 0.82 TTR (0.42) ALDH1A1KDM4ENQO1IP6K1IP6K3
SCHEMBL6472625 0.82 CYP26A1 (0.42) ALDH1A1KDM4EPKM
SCHEMBL6472627 0.82 CYP26A1 (0.42) ALDH1A1KDM4EPKM
SCHEMBL6875696 0.77 APP (0.48) ALDH1A1KDM4EIP6K1IP6K3IP6K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924388-B2 Bicyclic aromatic compounds and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-08-02 US disclosed
US-20040092594-A1 Bicyclic aromatic compounds and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-05-13 US disclosed
US-6632963-B1 Are useful for the treatment of a wide variety of disease states, whether human or veterinary, for example dermatological, rheumatic, respiratory, cardiovascular and ophthalmological disorders, as well as for the treatment of GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2003-10-14 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 (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-20040092594-A1 Bicyclic aromatic compounds and pharmaceutical/cosmetic compositions comprised thereof AHR, TYR, MC1R BCHE 1806/4885ALDH1A1 88/4885KDM4E 1995/4885

“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.