SCHEMBL4897334

SCHEMBL4897334

Cc1ccc(Cn2c(-c3ccc(Oc4cccc(NC(=O)NCCCCN(C)C)c4)cc3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.51
NR1H2 P55055 3/20 0.51
NR1H3 Q13133 3/20 0.51
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
EPHX2 P34913 1/20 0.35
PTGS2 P35354 1/20 0.35
RAF1 P04049 3/20 0.34
ABL1 P00519 1/20 0.34
MCHR1 Q99705 4/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
FGFR4 P22455 1/20 0.33

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
SCHEMBL4896549 0.94 RXRA (0.48) RXRANR1H2NR1H3MAPTRXFP1
SCHEMBL4902420 0.87 RXRA (0.39) RXRANR1H2NR1H3TRPV4MCHR1
SCHEMBL4905566 0.87 RXRA (0.62) RXRANR1H2NR1H3MAPTRXFP1
SCHEMBL14214305 0.85 F2 (0.39) RXRANR1H2NR1H3EPHX2PTGS2
SCHEMBL4901943 0.84 RXRA (0.40) RXRANR1H2NR1H3MCHR1NPC1
SCHEMBL4908091 0.84 RXRA (0.52) RXRANR1H2NR1H3MAPTRXFP1
SCHEMBL14214279 0.84 RXRA (0.56) RXRANR1H2NR1H3MAPTRXFP1
SCHEMBL14184079 0.83 RXRA (0.48) RXRANR1H2NR1H3RXFP1MCHR1
SCHEMBL14184083 0.83 RXRA (0.49) RXRANR1H2NR1H3MAPTRXFP1
SCHEMBL2263685 0.82 NR1H2 (0.60) RXRANR1H2NR1H3MAPTRXFP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 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-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 RXRA 20/4885NR1H2 1/4885NR1H3 3/4885

“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.