SCHEMBL6473808

SCHEMBL6473808

COC(=O)/C=C/c1cccc(-c2ccc3c(c2O)C(C)(C)CCC3(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.42
APP P05067 1/20 0.42
PRKDC P78527 1/20 0.41
PTPN1 P18031 1/20 0.41
EPHX2 P34913 1/20 0.40
IP6K1 Q92551 1/20 0.40
IP6K3 Q96PC2 1/20 0.40
IP6K2 Q9UHH9 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TYR P14679 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
RXRA P19793 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
SCHEMBL6473810 1.00 TTR (0.42) TTRAPPPRKDCPTPN1EPHX2
SCHEMBL6928809 0.88 RXRA (0.50) KDM4EALDH1A1RXRASMN1; SMN2RARA
SCHEMBL6875696 0.85 APP (0.48) TTRAPPPRKDCPTPN1EPHX2
SCHEMBL6478564 0.82 BCHE (0.43) APPIP6K1IP6K3IP6K2CA12
SCHEMBL6478560 0.82 BCHE (0.43) APPIP6K1IP6K3IP6K2CA12
SCHEMBL6472627 0.74 CYP26A1 (0.42) KDM4EALDH1A1RXRASMN1; SMN2RARA
SCHEMBL6472625 0.74 CYP26A1 (0.42) KDM4EALDH1A1RXRASMN1; SMN2RARA
SCHEMBL7899451 0.74 CYP26A1 (0.60) TTRAPPKDM4EALDH1A1RXRA
SCHEMBL7899449 0.74 CYP26A1 (0.60) TTRAPPKDM4EALDH1A1RXRA
SCHEMBL2769568 0.73 CA12 (0.52) TTRAPPPRKDCPTPN1EPHX2

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 TTR 1262/4885APP 2281/4885PRKDC 1597/4885

“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.