SCHEMBL6917161

SCHEMBL6917161

CC(=O)c1cc2c(cc1OCc1ccccc1)C(C)(C)CCC2(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.55
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RXRA P19793 7/20 0.51
HNF4A P41235 3/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BRD4 O60885 1/20 0.46
SGMS2 Q8NHU3 1/20 0.45
RARA P10276 1/20 0.45
RARB P10826 1/20 0.45
RARG P13631 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45

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
SCHEMBL6915771 0.89 MAOB (0.49) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL6916157 0.88 RXRA (0.47) MAOBSMN1; SMN2RXRAHNF4A
SCHEMBL3792434 0.88 MAOB (0.46) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL6918873 0.86 RXRA (0.45) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL6917258 0.86 RXRA (0.46) MAOBMAPTL3MBTL1RXRAHNF4A
SCHEMBL7872688 0.84 HDAC1 (0.43) MAOBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL6915899 0.83 RXRA (0.76) RXRAHNF4ARARARARBRARG
SCHEMBL6915796 0.83 RXRA (0.65) RXRAHNF4ARARARARBRARG
SCHEMBL6915309 0.81 RXRA (0.43) MAOBMAPTTDP1L3MBTL1RXRA
SCHEMBL6909578 0.81 RXRA (0.64) RXRAHNF4ARARARARBRARG

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 4382/4885MAPT 3765/4885CYP2C9 757/4885

“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.