SCHEMBL6916083

SCHEMBL6916083

CC1(C)CCC(C)(C)c2cc(C3(C=O)CC3)c(OCc3ccccc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
HNF4A P41235 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RXRA P19793 2/20 0.38
ALPG P10696 1/20 0.38
PTK2B Q14289 1/20 0.38
PTPN1 P18031 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37

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
SCHEMBL6917354 0.82 CCNB2 (0.38) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL6917408 0.80 RXRA (0.49) HNF4ARXRARARARARBRARG
SCHEMBL8890308 0.79 CCNB2 (0.40) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL6916114 0.77 LIPE (0.40) HNF4AL3MBTL1MAPTMAPK1TDP1
SCHEMBL6477273 0.76 HTR2A (0.47) HNF4AL3MBTL1MAPTMAPK1TDP1
SCHEMBL6917161 0.76 MAOB (0.55) HNF4AL3MBTL1MAPTTDP1RXRA
SCHEMBL22918381 0.74 KDM1A (0.39) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL6473706 0.74 LIPE (0.56) HNF4AL3MBTL1MAPTMAPK1TDP1
SCHEMBL8915164 0.73 HNF4A (0.38) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL6033110 0.73 L3MBTL1 (0.41) HNF4AL3MBTL1MAPTMAPK1TDP1

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 CCNB2 2793/4885CDK1 3758/4885CDK4 744/4885

“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.