SCHEMBL2886491

SCHEMBL2886491

CCC/C(=C/C(=O)O)Nc1cccc(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
POLB P06746 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
EGFR P00533 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48

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
SCHEMBL10472081 0.85 ALDH1A1 (0.54) HSD17B10NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5207857 0.81 ALDH1A1 (0.56) RAB9AHDAC3HDAC1HDAC2HDAC10
SCHEMBL5474706 0.81 ALDH1A1 (0.56) RAB9AHDAC3HDAC1HDAC2HDAC10
SCHEMBL13994594 0.79 HDAC3 (0.69) HSD17B10NPC1RAB9AHDAC3HDAC1
SCHEMBL4687017 0.77 HSD17B10 (0.64) HSD17B10NPC1RAB9APOLBMAOA
SCHEMBL4687025 0.77 HSD17B10 (0.64) HSD17B10NPC1RAB9APOLBMAOA
SCHEMBL4687023 0.77 HSD17B10 (0.64) HSD17B10NPC1RAB9APOLBMAOA
Butyramide SCHEMBL28632307 0.77 HSD17B10 (0.54) HSD17B10NPC1RAB9AHDAC3HDAC1
SCHEMBL9732699 0.76 LMNA (0.56) NPC1RAB9APOLBSMN1; SMN2MEN1
SCHEMBL4255261 0.76 SMN1; SMN2 (0.47) HSD17B10NPC1RAB9AHDAC3HDAC1

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 2446/4885NPC1 1221/4885RAB9A 2353/4885
US-20070167406-A1 Dihydropyridine derivatives for use as human neutrophil elastase inhibitors SERPINB1, ELANE, MPO HSD17B10 1774/4885NPC1 1295/4885RAB9A 708/4885

“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.