SCHEMBL4902625

SCHEMBL4902625

Cc1ccc(Cn2c(-c3ccc(Oc4ccc5[nH]c(C(=O)O)c(CCCN6CCOCC6)c5c4)cc3)cc(C(F)(F)F)c(C#N)c2=O)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.44
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
TRPV4 Q9HBA0 2/20 0.36
AVPR1B P47901 6/20 0.35
DHODH Q02127 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CXCR2 P25025 1/20 0.32
CSF1R P07333 1/20 0.32
EIF4EBP1 Q13541 1/20 0.32
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31

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
SCHEMBL4902619 0.85 RXRA (0.44) RXRANR1H2NR1H3KDM4EHPGD
SCHEMBL4899595 0.83 RXRA (0.42) RXRANR1H2NR1H3AVPR1BDHODH
SCHEMBL4902632 0.82 RXRA (0.46) RXRANR1H2NR1H3TRPV4AVPR1B
Hydrochloric Acid SCHEMBL4904474 0.82 RXRA (0.42) RXRANR1H2NR1H3AVPR1BKDM4E
SCHEMBL14184076 0.81 RXRA (0.46) RXRANR1H2NR1H3TRPV4
SCHEMBL14214331 0.80 RXRA (0.48) RXRANR1H2NR1H3TRPV4
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) RXRANR1H2NR1H3EIF4EBP1MAPT

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.