SCHEMBL7586102

SCHEMBL7586102

C[SiH](C)Oc1cc(C(C)(C)C)ccc1CCCO

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
ELANE P08246 1/20 0.34
HTR1D P28221 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EGFR P00533 1/20 0.32
RARA P10276 3/20 0.32
RARB P10826 3/20 0.32
RARG P13631 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
RXRA P19793 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
SCHEMBL4521923 0.85 CYP1A2 (0.34) CYP2C19CYP1A2HTR1DCA1CA2
SCHEMBL8113705 0.84 KLF10 (0.39) CYP2C19CYP1A2HTR1DCA1CA2
SCHEMBL4266306 0.80 NPSR1 (0.51) CYP2C19ELANENPSR1RXRARXRB
SCHEMBL7999289 0.80 NPSR1 (0.40) CYP2C19CYP1A2HTR1DCA1CA2
SCHEMBL4261597 0.79 TP53 (0.41) CYP2C19HTR1DCA1CA2CA9
SCHEMBL7592443 0.79 CA1 (0.40) CA1CA2CA9ALDH1A1ALOX15
SCHEMBL6760798 0.78 CYP2C19 (0.38) CYP2C19CYP1A2HTR1DCA1CA2
SCHEMBL8119764 0.78 CYP2C19 (0.38) CYP2C19CYP1A2HTR1DCA1CA2
SCHEMBL7535667 0.78 NPSR1 (0.38) CYP2C19ALDH1A1ALOX15HSD17B10TDP1
SCHEMBL305273 0.76 CYP4F2 (0.44) CYP2C19CYP1A2CYP2D6ALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492550-B2 INHIBITORS OF THE CYTOSOLIC PHOSPHOLYPASE A2 ENZYMES BRISTOL-MYERS SQUIBB COMPANY 2002-12-10 US disclosed
US-20020068722-A1 Alpha-substituted thio,-oxo trifluoromethylketones as phospholipase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-06-06 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-20020068722-A1 Alpha-substituted thio,-oxo trifluoromethylketones as phospholipase inhibitors PLA2G4B, PLA2G4A, PLA2G1B CYP2C19 1271/4885CYP1A2 385/4885ELANE 862/4885

“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.