SCHEMBL668353

SCHEMBL668353

C#CCOc1cc(C(=O)OC)c(N)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.69
GAA P10253 4/20 0.48
POLB P06746 2/20 0.46
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
HTR2A P28223 1/20 0.42
CYP2B6 P20813 1/20 0.41
GLA P06280 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
PDE4B Q07343 1/20 0.40
ABL1 P00519 1/20 0.40
CFTR P13569 2/20 0.39

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
SCHEMBL667570 1.00 KDM4E (0.69) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL31697374 0.85 KDM4E (0.51) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL26651121 0.84 KDM4E (0.62) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL31408659 0.83 KDM4E (1.00) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL372600 0.83 KDM4E (1.00) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL6383531 0.82 KDM4E (0.78) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL1012737 0.82 KDM4E (0.78) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL8160004 0.82 MAOB (0.52) KDM4EGAAPOLBMAOBMAOA
SCHEMBL1012527 0.80 KDM4E (0.73) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL22056915 0.80 KDM4E (0.73) KDM4EGAAPOLBALDH1A1HSD17B10

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-20120046461-A1 STEROIDAL ANTI-HORMONE HYBRIDS NORTHEASTERN UNIVERSITY (US) 2012-02-23 US disclosed
WO-2010085747-A1 STEROIDAL ANTI-HORMONE HYBRIDS NORTHEASTERN UNIVERSITY (US) 2010-07-29 WO 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-20120046461-A1 STEROIDAL ANTI-HORMONE HYBRIDS ESRRA, ESRRB, NR5A1 KDM4E 3021/4885GAA 4527/4885POLB 4179/4885

“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.