SCHEMBL6875696

SCHEMBL6875696

COC(=O)C=Cc1cccc(-c2cc3c(cc2O)C(C)(C)CCC3(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.48
TTR P02766 1/20 0.48
RXRA P19793 2/20 0.47
PTPN1 P18031 1/20 0.46
EPHX2 P34913 1/20 0.45
PRKDC P78527 1/20 0.43
IP6K1 Q92551 1/20 0.42
IP6K3 Q96PC2 1/20 0.42
IP6K2 Q9UHH9 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TYR P14679 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40

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
SCHEMBL6878025 0.87 RXRA (0.62) APPTTRRXRAPTPN1CA12
SCHEMBL6473808 0.85 TTR (0.42) APPTTRRXRAPTPN1EPHX2
SCHEMBL6473810 0.85 TTR (0.42) APPTTRRXRAPTPN1EPHX2
SCHEMBL6874284 0.79 RXRA (0.50) TTRRXRACA12CA1CA2
SCHEMBL6875694 0.79 ALDH1A1 (0.46) APPTTRRXRAPTPN1EPHX2
SCHEMBL6874716 0.78 RXRA (0.52) RXRACA12CA1CA2CA7
SCHEMBL6478564 0.77 BCHE (0.43) APPIP6K1IP6K3IP6K2CA12
SCHEMBL6478560 0.77 BCHE (0.43) APPIP6K1IP6K3IP6K2CA12
SCHEMBL7899451 0.77 CYP26A1 (0.60) APPTTRRXRAALDH1A1KDM4E
SCHEMBL7899449 0.77 CYP26A1 (0.60) APPTTRRXRAALDH1A1KDM4E

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 APP 3462/4885TTR 1024/4885RXRA 196/4885
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 APP 4362/4885TTR 771/4885RXRA 55/4885

“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.