SCHEMBL10150845

SCHEMBL10150845

O/N=C(/c1ccc2ccccc2c1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
PRSS1 P07477 1/20 0.44
KDM4E B2RXH2 3/20 0.41
PTPN1 P18031 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
EGFR P00533 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL29824637 0.78 GAA (0.50) ALDH1A1ALOX15HSD17B10GAACES2
SCHEMBL24683843 0.78 GAA (0.50) ALDH1A1ALOX15HSD17B10GAACES2
SCHEMBL7246133 0.76 ALDH1A1 (0.57) ALDH1A1ALOX15HSD17B10GAACES2
SCHEMBL1669122 0.76 ALDH1A1 (0.57) ALDH1A1ALOX15HSD17B10GAACES2
SCHEMBL9799638 0.76 ALDH1A1 (0.57) ALDH1A1ALOX15HSD17B10GAACES2
SCHEMBL18936130 0.75 CES2 (0.57) ALDH1A1ALOX15HSD17B10CES2CES1
SCHEMBL17988330 0.74 CES2 (0.56) ALDH1A1ALOX15HSD17B10CES2CES1
SCHEMBL546880 0.74 CES2 (0.40) ALDH1A1ALOX15HSD17B10GAACES2
SCHEMBL25211242 0.74 CES2 (0.40) ALDH1A1ALOX15HSD17B10CES2CES1
SCHEMBL546879 0.74 CES2 (0.40) ALDH1A1ALOX15HSD17B10GAACES2

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-8173350-B2 Oxime compound and resist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20100021847-A1 Oxime Compound and Resist Composition Containing the Same SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2010-01-28 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-20100021847-A1 Oxime Compound and Resist Composition Containing the Same CYC1, UQCRB, CBR1 ALDH1A1 1280/4885ALOX15 306/4885HSD17B10 168/4885

“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.