SCHEMBL17211822

SCHEMBL17211822

C=C(/C=C\C(=C)[N+](=O)[O-])c1ccc2c(c1)CCCC2(OC)OC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.33
▸ RXRA P19793 2/20 0.32
▸ RXRB P28702 2/20 0.32
▸ RXRG P48443 2/20 0.32
▸ PDE4D Q08499 1/20 0.30
▸ KARS1 Q15046 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
SCHEMBL17211805 0.80 SIRT2 (0.30) —
SCHEMBL17211806 0.79 PDE4D (0.31) PDE4DKARS1
SCHEMBL17211819 0.79 PDE4D (0.31) PDE4DKARS1
SCHEMBL17211810 0.72 MAOA (0.44) —
SCHEMBL17211800 0.71 CYP2A6 (0.35) —
SCHEMBL17211816 0.69 CYP26A1 (0.31) —
SCHEMBL17211813 0.65 CYP26A1 (0.32) —
SCHEMBL17551902 0.62 KDM1A (0.56) KDM1ARXRARXRBRXRG
SCHEMBL25369126 0.62 RXRA (0.41) KDM1ARXRARXRBRXRGPDE4D
SCHEMBL23704441 0.61 KDM1A (0.48) KDM1A

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-20150307445-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors GlaxoSmith Kline Intellectual Property (No.2) Limited (GB) 2015-10-29 — — 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-20150307445-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors DGAT1, DGAT2, LCAT KDM1A 3473/4885RXRA 827/4885RXRB 1080/4885

“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.

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