SCHEMBL4902619

SCHEMBL4902619

CCC(c1c(C(=O)O)[nH]c2ccc(Oc3ccc(-c4cc(C(F)(F)F)c(C#N)c(=O)n4Cc4ccc(C)cc4C)cc3)cc12)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.44
NR1H2 P55055 3/20 0.44
NR1H3 Q13133 3/20 0.44
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL4902625 0.85 RXRA (0.44) RXRANR1H2NR1H3KDM4EHPGD
SCHEMBL4897578 0.78 RXRA (0.53) RXRANR1H2NR1H3KDM4EHPGD
SCHEMBL2387622 0.77 RXRA (0.61) RXRANR1H2NR1H3KDM4EHPGD
SCHEMBL2266726 0.76 NR1H2 (0.65) RXRANR1H2NR1H3KDM4EHPGD
SCHEMBL2263662 0.76 RXRA (0.62) RXRANR1H2NR1H3MAPT
SCHEMBL4897266 0.75 RXRA (0.49) RXRANR1H2NR1H3KDM4EHPGD
SCHEMBL4899595 0.75 RXRA (0.42) RXRANR1H2NR1H3KDM4EMAPT
SCHEMBL4902632 0.75 RXRA (0.46) RXRANR1H2NR1H3MAPTALDH1A1
SCHEMBL2387472 0.75 RXRA (0.49) RXRANR1H2NR1H3KDM4EHPGD
SCHEMBL2268061 0.75 NR1H2 (0.61) RXRANR1H2NR1H3KDM4EHPGD

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 1 patent. 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

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.