SCHEMBL6473706

SCHEMBL6473706

CC1(C)CCC(C)(C)c2cc(B(O)O)c(OCc3ccccc3)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.56
ENPP2 Q13822 1/20 0.45
HRH3 Q9Y5N1 2/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HNF4A P41235 2/20 0.40
RXRA P19793 1/20 0.40
ALPG P10696 1/20 0.40
PTK2B Q14289 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL6473151 0.88 ENPP2 (0.45) LIPEENPP2MAPTL3MBTL1NPC1
SCHEMBL6473566 0.88 LIPE (0.42) LIPEENPP2HRH3NPC1RAB9A
SCHEMBL6472697 0.88 LIPE (0.46) LIPEENPP2MAPTL3MBTL1NPC1
SCHEMBL6472648 0.84 MAOB (0.48) ENPP2MAPT
SCHEMBL4859743 0.80 RXRA (0.51) HNF4ARXRA
SCHEMBL6477273 0.79 HTR2A (0.47) LIPEHRH3MAPTMAPK1TDP1
SCHEMBL6917161 0.79 MAOB (0.55) MAPTTDP1L3MBTL1HNF4ARXRA
SCHEMBL6918873 0.79 RXRA (0.45) LIPEMAPTMAPK1TDP1L3MBTL1
SCHEMBL6916114 0.78 LIPE (0.40) LIPEHRH3MAPTMAPK1TDP1
SCHEMBL5846427 0.78 RXRA (0.37) HNF4ARXRA

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 LIPE 460/4885ENPP2 3007/4885HRH3 47/4885

“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.