SCHEMBL4902545

SCHEMBL4902545

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.47
NR1H2 P55055 3/20 0.47
NR1H3 Q13133 3/20 0.47
KDM4E B2RXH2 3/20 0.35
PPARG P37231 3/20 0.35
PPARD Q03181 3/20 0.35
PPARA Q07869 3/20 0.35
ITGB3 P05106 2/20 0.34
ITGA2B P08514 1/20 0.34
ITGAV P06756 1/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.32
LGALS8 O00214 2/20 0.32
LGALS3 P17931 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL4905078 0.94 RXRA (0.46) RXRANR1H2NR1H3KDM4EPPARG
SCHEMBL4897266 0.93 RXRA (0.49) RXRANR1H2NR1H3KDM4EPPARG
SCHEMBL4904411 0.93 RXRA (0.48) RXRANR1H2NR1H3KDM4EPPARG
SCHEMBL4904862 0.91 RXRA (0.47) RXRANR1H2NR1H3KDM4EPPARG
SCHEMBL4897439 0.91 RXRA (0.47) RXRANR1H2NR1H3KDM4EPPARG
SCHEMBL4897578 0.89 RXRA (0.53) RXRANR1H2NR1H3KDM4EGAA
SCHEMBL4907552 0.89 RXRA (0.48) RXRANR1H2NR1H3KDM4EGAA
SCHEMBL4905197 0.89 RXRA (0.45) RXRANR1H2NR1H3KDM4EPPARG
SCHEMBL4897384 0.87 RXRA (0.44) RXRANR1H2NR1H3KDM4EPPARG
SCHEMBL4904765 0.87 RXRA (0.49) RXRANR1H2NR1H3KDM4EGAA

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 3 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
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

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.