SCHEMBL19797989

SCHEMBL19797989

CCc1cc(C)ccc1N1CC(c2ccccc2)([N+](=O)[O-])CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
POLB P06746 1/20 0.36
ACHE P22303 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
OPRM1 P35372 3/20 0.33
OPRL1 P41146 3/20 0.33
HSD11B1 P28845 1/20 0.33
HSD17B10 Q99714 1/20 0.32
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
TP53 P04637 1/20 0.31
KMT2A Q03164 3/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
PDE5A O76074 1/20 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
SCHEMBL17999343 0.92 ACHE (0.35) ALDH1A1POLBACHEL3MBTL1OPRM1
SCHEMBL17999563 0.92 ACHE (0.35) ALDH1A1POLBACHEL3MBTL1OPRM1
SCHEMBL17999282 0.92 ACHE (0.35) ALDH1A1POLBACHEL3MBTL1OPRM1
SCHEMBL3017592 0.73 ALDH1A1 (0.44) ALDH1A1L3MBTL1OPRM1KMT2AMEN1
SCHEMBL17999372 0.71 ALDH1A1 (0.43) ALDH1A1POLBACHEL3MBTL1KMT2A
SCHEMBL17999374 0.71 ALDH1A1 (0.43) ALDH1A1POLBACHEL3MBTL1KMT2A
SCHEMBL17553914 0.68 HSD17B10 (0.49) ALDH1A1HSD17B10TP53KMT2AMEN1
SCHEMBL17999367 0.68 F9 (0.47) L3MBTL1HSD11B1KMT2AMEN1LMNA
SCHEMBL17999264 0.67 F9 (0.39)
SCHEMBL17999385 0.67 F9 (0.39)

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-20180022747-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-01-25 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-20180022747-A1 Factor IXa Inhibitors F9, TFPI, F12 ALDH1A1 672/4885POLB 3869/4885ACHE 682/4885

“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.