SCHEMBL31541173

SCHEMBL31541173

CCC1(CC)OB(c2cnn(C3CCCCO3)c2)OC1(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.36
FGFR1 P11362 2/20 0.34
FLT3 P36888 2/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
FFAR1 O14842 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
SYK P43405 1/20 0.31
AURKB Q96GD4 1/20 0.31
MCL1 Q07820 1/20 0.31
CYP2C19 P33261 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
SCHEMBL31133152 0.87 FFAR1 (0.37) KDM5BFGFR1FLT3FGFR2FGFR4
SCHEMBL31488070 0.87 FFAR1 (0.42) KDM5BFGFR1FLT3FGFR2FGFR4
SCHEMBL760525 0.87 FFAR1 (0.42) KDM5BFGFR1FLT3FGFR2FGFR4
SCHEMBL24456419 0.81 KDM5B (0.36) KDM5BFGFR1FLT3FGFR2FGFR4
SCHEMBL15813615 0.80 KDM5B (0.36) KDM5BFGFR1FLT3FGFR2FGFR4
SCHEMBL17069527 0.80 KDM5B (0.35) KDM5BFGFR1FLT3FGFR2FGFR4
SCHEMBL1912961 0.79 KDM5B (0.34) KDM5BFGFR1FLT3FGFR2FGFR4
SCHEMBL23699731 0.79 FFAR1 (0.46) FFAR1
SCHEMBL20953116 0.76 KDM5B (0.37) KDM5BFGFR1FLT3FGFR2FGFR4
SCHEMBL31510377 0.74 KDM5B (0.40) KDM5BFGFR1FLT3FGFR2FGFR4

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-20250136587-A1 N3-SUBSTITUTED URACIL COMPOUNDS AS TRPA1 INHIBITORS D. E. SHAW RESEARCH, LLC 2025-05-01 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-20250136587-A1 N3-SUBSTITUTED URACIL COMPOUNDS AS TRPA1 INHIBITORS TRPA1, TRPV1, SLC28A1 KDM5B 3960/4885FGFR1 1436/4885FLT3 2331/4885

“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.