SCHEMBL6477273

SCHEMBL6477273

CC1(C)CCC(C)(C)c2cc(OCc3ccccc3)c(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTPN1 P18031 2/20 0.45
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAOB P27338 1/20 0.41
LIPE Q05469 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
SLC6A4 P31645 1/20 0.40
CCR5 P51681 1/20 0.40
RXRA P19793 2/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TLR9 Q9NR96 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL629337 0.89 HTR2A (0.52) HTR2AHTR2CRAB9ASMN1; SMN2PTPN1
SCHEMBL6477668 0.87 CCR5 (0.46) SMN1; SMN2MAPTL3MBTL1MAOBSLC6A4
SCHEMBL6472248 0.87 ABCB1 (0.44) RAB9ASMN1; SMN2PTPN1MAPTL3MBTL1
SCHEMBL6473179 0.87 PTPN1 (0.45) RAB9ASMN1; SMN2PTPN1MAPTL3MBTL1
SCHEMBL6477647 0.84 MAOB (0.50) SMN1; SMN2MAPTMAOB
SCHEMBL6473706 0.79 LIPE (0.56) RAB9AMAPTMAPK1TDP1L3MBTL1
SCHEMBL8005483 0.79 RXRA (0.50) HTR2AHTR2CMAPTMAPK1TDP1
SCHEMBL6086042 0.79 RAB9A (0.41) HTR2AHTR2CRAB9ASMN1; SMN2PTPN1
SCHEMBL8846000 0.78 MAPT (0.46) RAB9ASMN1; SMN2MAPTMAPK1TDP1
SCHEMBL6918873 0.78 RXRA (0.45) SMN1; SMN2MAPTMAPK1TDP1L3MBTL1

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 10 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-20040019072-A1 Dimer-selective RXR modulators and methods for their use CANAN-KOCH STACIE (US) 2004-01-29 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-1336600-A2 Dimer-selective RXR modulators and methods for their use LIGAND PHARMACEUTICALS INCORPORATED (US) 2003-08-20 EP disclosed
US-6545049-B1 E.g., (2E, 4E, 6E)-7-(3,5-diisopropyl-2-n-heptyloxyphenyl)-3-methylocta-2,4,6-trienoic acid, esters or amides thereof LIGAND PHARMACEUTICALS INCORPORATED 2003-04-08 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
EP-0873295-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS, INC. (US) 1998-10-28 EP disclosed
WO-1997012853-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-04-10 WO 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-20040019072-A1 Dimer-selective RXR modulators and methods for their use RXRG, RXRB, RXRA HTR2A 421/4885HTR2C 674/4885RAB9A 3624/4885
US-20040092594-A1 Bicyclic aromatic compounds and pharmaceutical/cosmetic compositions comprised thereof AHR, TYR, MC1R HTR2A 351/4885HTR2C 112/4885RAB9A 2406/4885

“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.