SCHEMBL4522166

SCHEMBL4522166

O=C(O)/C=C/c1cc(C(F)(F)F)cnc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 6/20 0.42
AGBL2 Q5U5Z8 1/20 0.41
MIF P14174 1/20 0.41
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
NFKB1 P19838 1/20 0.38
CA4 P22748 1/20 0.38
GLA P06280 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
PLAU P00749 1/20 0.37

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
SCHEMBL4522170 1.00 HPGD (0.47) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4511815 0.83 HPGD (0.52) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4511823 0.83 HPGD (0.52) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4515539 0.78 KMT2A (0.39) HPGDALDH1A1AGBL2KMT2AKDM4E
SCHEMBL24674722 0.75 ALDH1A1 (0.38) ALDH1A1AGBL2KMT2ARAB9AKDM4E
SCHEMBL5717499 0.74 ALDH1A1 (0.62) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL26634016 0.73 RAB9A (0.55) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1124418 0.72 KMT2A (0.53) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1124416 0.72 KMT2A (0.53) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL24968193 0.72 RAB9A (0.47) HPGDCYP2C9ALDH1A1KMT2ARAB9A

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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 HPGD 621/4885CYP1A2 1418/4885CYP2C9 2186/4885

“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.