SCHEMBL6472248

SCHEMBL6472248

COc1ccc(COc2cc3c(cc2Br)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.44
APP P05067 5/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAOB P27338 3/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCR5 P51681 1/20 0.40
PTPN1 P18031 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
IDO1 P14902 1/20 0.39
AGXT P21549 1/20 0.39
TP53 P04637 1/20 0.39
CYP26A1 O43174 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
SCHEMBL6477647 0.88 MAOB (0.50) ABCB1MAOBMAPTSMN1; SMN2IDO1
SCHEMBL6477273 0.87 HTR2A (0.47) RAB9AMAOBMAPTALDH1A1HPGD
SCHEMBL6473179 0.86 PTPN1 (0.45) APPNPC1RAB9AMAOBMAPT
SCHEMBL6477668 0.86 CCR5 (0.46) MAOBMAPTLMNASMN1; SMN2L3MBTL1
SCHEMBL6473566 0.81 LIPE (0.42) ABCB1APPNPC1RAB9AMAOB
SCHEMBL6916157 0.80 RXRA (0.47) NPC1RAB9AMAOBSMN1; SMN2HDAC8
SCHEMBL8887456 0.78 NPC1 (0.42) ABCB1APPNPC1RAB9AMAOB
SCHEMBL629337 0.77 HTR2A (0.52) RAB9AMAOBMAPTSMN1; SMN2L3MBTL1
SCHEMBL5366510 0.77 RXRA (0.45) L3MBTL1
SCHEMBL24855495 0.77 L3MBTL1 (0.52) APPNPC1RAB9AMAOBMAPT

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-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
EP-0947496-B1 Bicyclic aromatic compounds and their use in human and veterinary medicine as well as in cosmetology GALDERMA RES & DEV (FR) 2002-10-09 EP disclosed
EP-0947496-A1 Bicyclic aromatic compounds and their use in human and veterinary medicine as well as in cosmetology Galderma Research & Development, S.N.C. (FR) 1999-10-06 EP 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 ABCB1 2044/4885APP 2281/4885NPC1 2138/4885

“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.