SCHEMBL21291152

SCHEMBL21291152

COC(=O)c1cc(C#CCO)cc2nccn12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
TYK2 P29597 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90B1 P14625 1/20 0.31
CHRM4 P08173 1/20 0.31
GRM5 P41594 1/20 0.30
EGFR P00533 1/20 0.30
TSHR P16473 1/20 0.30
GLRA3 O75311 1/20 0.30
GLRB P48167 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
SCHEMBL19697833 0.90 KDM4E (0.35) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL19697437 0.76 KDM4E (0.41) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL19697817 0.76 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL29334102 0.74 KDM4E (0.40) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL19697838 0.73 CYP4A11 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL5555517 0.69 CA12 (0.46) KDM4EALDH1A1HSD17B10TSHRGLRA3
SCHEMBL16388000 0.68 CDK8 (0.42) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL19697398 0.67 KDM4E (0.34) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL19697724 0.67 KDM4E (0.34) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL19697836 0.66 FBP1 (0.34) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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-20190256509-A1 HISTONE DEMETHYLASE INHIBITORS CHRYSALIS INC (US) 2019-08-22 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-20190256509-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM6B, KDM2A KDM4E 12/4885ALDH1A1 1564/4885HPGD 1945/4885

“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.