SCHEMBL4902632

SCHEMBL4902632

Cc1ccc(Cn2c(-c3ccc(Oc4ccc5c(c4)cc(C(=O)O)n5CCCN4CCOCC4)cc3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.46
NR1H2 P55055 2/20 0.46
NR1H3 Q13133 2/20 0.46
TRPV4 Q9HBA0 9/20 0.38
NTRK1 P04629 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SCN9A Q15858 1/20 0.34
KMT2A Q03164 2/20 0.33
AVPR1B P47901 2/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 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
SCHEMBL5666394 0.87 RXRA (0.53) RXRANR1H2NR1H3NTRK1SCN9A
SCHEMBL5820491 0.84 RXRA (0.48) RXRANR1H2NR1H3NTRK1CTSS
SCHEMBL4902625 0.82 RXRA (0.44) RXRANR1H2NR1H3TRPV4AVPR1B
SCHEMBL14184076 0.82 RXRA (0.46) RXRANR1H2NR1H3TRPV4MAPK1
SCHEMBL4899595 0.82 RXRA (0.42) RXRANR1H2NR1H3AVPR1BALDH1A1
Hydrochloric Acid SCHEMBL4904474 0.81 RXRA (0.42) RXRANR1H2NR1H3AVPR1BALDH1A1
SCHEMBL5615829 0.81 RXRA (0.49) RXRANR1H2NR1H3NTRK1
SCHEMBL14214331 0.81 RXRA (0.48) RXRANR1H2NR1H3TRPV4
SCHEMBL2387622 0.79 RXRA (0.61) RXRANR1H2NR1H3KMT2AMEN1
SCHEMBL2266726 0.78 NR1H2 (0.65) RXRANR1H2NR1H3KMT2AMEN1

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.