SCHEMBL6915950

SCHEMBL6915950

N#Cc1ccc2ccccc2c1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IMPDH2 P12268 1/20 0.44
ALOX5 P09917 1/20 0.44
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP2D6 P10635 1/20 0.40
XDH P47989 2/20 0.40
SQOR Q9Y6N5 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
SCHEMBL29098899 0.87 CNR1 (0.46) MAOBRAB9AIMPDH2ALOX5CA1
SCHEMBL6917391 0.86 MAOB (0.46) MAOBMAPTIMPDH2
SCHEMBL6915774 0.85 XDH (0.43) MAOBCYP2D6XDH
SCHEMBL8352651 0.84 NPC1 (0.49) MAOBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL28150038 0.81 GAA (0.46) MAPTL3MBTL1IMPDH2ALOX5CA1
SCHEMBL5113336 0.79 NPC1 (0.43) MAOBNPC1RAB9AMAPTSMN1; SMN2
Fluoride SCHEMBL28325117 0.78 MAOB (0.56) MAOBMAPTL3MBTL1IMPDH2XDH
SCHEMBL2422193 0.78 CA1 (0.48) IMPDH2CA1CA2CYP2D6
SCHEMBL6913366 0.77 CYP2D6 (0.48) IMPDH2CA1CA2CYP2D6XDH
SCHEMBL8859833 0.77 NPC1 (0.62) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1

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-20040019072-A1 Dimer-selective RXR modulators and methods for their use CANAN-KOCH STACIE (US) 2004-01-29 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-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 (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-20040019072-A1 Dimer-selective RXR modulators and methods for their use RXRG, RXRB, RXRA MAOB 4382/4885NPC1 2224/4885RAB9A 3624/4885

“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.