SCHEMBL21395372

SCHEMBL21395372

C=C1CCc2occc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSP90AA1 P07900 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
PTPRC P08575 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP2C19 P33261 1/20 0.33
NQO1 P15559 1/20 0.32
POR P16435 1/20 0.32
PKM P14618 1/20 0.31
METAP1 P53582 4/20 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
SCHEMBL15395750 0.79 HSP90AA1 (0.38) HSD17B10POLBGAAMAPTKDM4E
SCHEMBL30189736 0.72 POLB (0.38) HSD17B10POLBGAAMAPTKDM4E
SCHEMBL13090140 0.71 MAPT (0.39) HSD17B10POLBGAAMAPTKDM4E
SCHEMBL2490420 0.68 KDM4E (0.44) HSD17B10POLBGAAMAPTKDM4E
SCHEMBL2490424 0.68 KDM4E (0.44) HSD17B10POLBGAAMAPTKDM4E
SCHEMBL29674595 0.68 KDM4E (0.44) HSD17B10POLBGAAMAPTKDM4E
SCHEMBL3129135 0.67 HSD17B10 (0.39) HSD17B10POLBGAAMAPTKDM4E
SCHEMBL333300 0.67 MAPT (0.42) HSD17B10POLBGAAMAPTKDM4E
SCHEMBL10427140 0.65 TDP1 (0.42) TDP1NQO1METAP1
SCHEMBL21025349 0.64 PARP10 (0.46) KDM4E

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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 HSD17B10 2283/4885POLB 2313/4885GAA 3912/4885

“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.