SCHEMBL6472243

SCHEMBL6472243

CCCOc1cc(B(O)O)cc2c1C(C)(C)CCC2(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.40
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
PPARG P37231 1/20 0.33
NR1H3 Q13133 1/20 0.33
HNF4A P41235 3/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
LPL P06858 2/20 0.31
LIPG Q9Y5X9 2/20 0.31

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
SCHEMBL5048412 0.84 HNF4A (0.33) RXRARARARARBRARGHNF4A
SCHEMBL6472663 0.78 RXRA (0.40) RXRARXRBRXRGRARARARB
SCHEMBL6476568 0.77 RXRA (0.39) RXRARXRBRXRGRARARARB
SCHEMBL6477145 0.77 RXRA (0.49) RXRARXRBRXRGRARARARB
SCHEMBL6476572 0.75 RXRA (0.38) RXRARXRBRXRGRARARARB
SCHEMBL6870804 0.75 TP53 (0.41) RXRARXRBRXRGRARARARB
SCHEMBL16316083 0.69 RXRA (0.47) RXRARXRBRXRGRARARARB
SCHEMBL6472792 0.69 RXRA (0.48) RXRARXRBRXRGRARARARB
SCHEMBL6528114 0.68 RXRA (0.40) RXRAPPARGNR1H3HNF4A
SCHEMBL3791885 0.67 MAPT (0.47) TP53LPLLIPG

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 RXRA 174/4885RXRB 259/4885RXRG 209/4885

“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.