SCHEMBL22057794

SCHEMBL22057794

COC(=O)c1ccccc1SCC#CN

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.60
POLB P06746 2/20 0.60
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.46
CFTR P13569 1/20 0.46
CRBN Q96SW2 1/20 0.45
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 2/20 0.43
PTGS2 P35354 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ATM Q13315 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
SCHEMBL11083124 0.82 HSD17B10 (0.63) HSD17B10POLBKMT2AALDH1A1CFTR
SCHEMBL7364591 0.78 HSD17B10 (0.71) HSD17B10POLBKMT2AALDH1A1CFTR
SCHEMBL21505100 0.77 HSD17B10 (0.65) HSD17B10POLBKMT2AALDH1A1CFTR
SCHEMBL5703322 0.76 GRM5 (0.56) HSD17B10POLBKMT2AMAPTKDM4E
SCHEMBL7754027 0.76 HSD17B10 (0.62) HSD17B10POLBKMT2AALDH1A1CFTR
SCHEMBL15143214 0.75 HSD17B10 (0.67) HSD17B10POLBKMT2AALDH1A1CFTR
SCHEMBL9660330 0.75 HSD17B10 (0.77) HSD17B10POLBKMT2AALDH1A1CFTR
SCHEMBL10144072 0.75 HSD17B10 (0.67) HSD17B10POLBKMT2AALDH1A1CFTR
SCHEMBL9661237 0.75 HSD17B10 (1.00) HSD17B10POLBKMT2AALDH1A1CFTR
SCHEMBL2797516 0.74 HSD17B10 (0.65) HSD17B10POLBKMT2AALDH1A1CFTR

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-20200172530-A1 Small Molecule Sensitization of BAX Activation for Induction of Cell Death DANA-FARBER CANCER INSTITUTE, INC. 2020-06-04 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-20200172530-A1 Small Molecule Sensitization of BAX Activation for Induction of Cell Death BAX, BAD, TMBIM6 HSD17B10 3904/4885POLB 2275/4885KMT2A 4840/4885

“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.