SCHEMBL2886492

SCHEMBL2886492

CCOC(=O)C=C(C)Nc1cccc(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.55
ALDH1A1 P00352 3/20 0.50
TP53 P04637 2/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HPGD P15428 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MAPK1 P28482 2/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
HSP90AA1 P07900 1/20 0.46
PKM P14618 1/20 0.46
CCR6 P51684 1/20 0.46

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
SCHEMBL2886489 1.00 HSD17B10 (0.55) HSD17B10ALDH1A1TP53GAAMAPT
SCHEMBL11715604 0.86 SMN1; SMN2 (0.49) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL11715589 0.86 SMN1; SMN2 (0.49) ALDH1A1GAAMAPTNPC1RAB9A
SCHEMBL5404380 0.86 MAPT (0.46) HSD17B10ALDH1A1TP53MAPTNPC1
SCHEMBL5404383 0.86 MAPT (0.46) HSD17B10ALDH1A1TP53MAPTNPC1
SCHEMBL1717228 0.85 MAPT (0.51) HSD17B10ALDH1A1GAAMAPTNPC1
SCHEMBL1717226 0.85 MAPT (0.51) HSD17B10ALDH1A1GAAMAPTNPC1
SCHEMBL1974848 0.85 MAPT (0.51) HSD17B10ALDH1A1GAAMAPTNPC1
SCHEMBL11723450 0.85 SMN1; SMN2 (0.54) HSD17B10ALDH1A1MAPTNPC1RAB9A
SCHEMBL11723465 0.85 SMN1; SMN2 (0.54) HSD17B10ALDH1A1MAPTNPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691854-B2 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-06 US disclosed
US-20070167406-A1 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-19 US disclosed
US-7199136-B2 1,4-dihydro-1,4-diphenylpyridine derivatives BAYER HEALTHCARE AG (DE) 2007-04-03 US disclosed
US-20050165014-A1 Antiinflammatory agents, neutrophil elastase inhibitors; chronic obstructive pulmonary diseases BAYER HEALTHCARE AG 2005-07-28 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 (2 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-20050165014-A1 Antiinflammatory agents, neutrophil elastase inhibitors; chronic obstructive pulmonary diseases SERPINB1, ELANE, MPO HSD17B10 2446/4885ALDH1A1 395/4885TP53 4544/4885
US-20070167406-A1 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors SERPINB1, ELANE, MPO HSD17B10 1774/4885ALDH1A1 400/4885TP53 4127/4885

“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.