SCHEMBL4897675

SCHEMBL4897675

Cc1ccc(Cn2c(-c3ccc(Oc4ccc5[nH]c(C(=O)OCCN(C)C)cc5c4)cc3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.46
NR1H2 P55055 3/20 0.46
NR1H3 Q13133 3/20 0.46
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDGFRB P09619 2/20 0.34
PDGFRA P16234 2/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP13 P45452 4/20 0.33
MMP2 P08253 3/20 0.33
MMP14 P50281 3/20 0.33
XDH P47989 1/20 0.33
FLT3 P36888 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
SCHEMBL4905368 0.96 RXRA (0.44) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL4904619 0.96 RXRA (0.45) RXRANR1H2NR1H3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4904970 0.96 RXRA (0.45) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL4907982 0.96 RXRA (0.45) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL2387472 0.92 RXRA (0.49) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL14214336 0.91 KDM4E (0.35) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL4906227 0.91 RXRA (0.45) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL4904765 0.89 RXRA (0.49) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL4897578 0.88 RXRA (0.53) RXRANR1H2NR1H3KDM4EALDH1A1
SCHEMBL14184078 0.88 RXRA (0.44) RXRANR1H2NR1H3KDM4EALDH1A1

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 9 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 claimed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO claimed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO claimed
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-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO 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.