SCHEMBL17320382

SCHEMBL17320382

CC(=O)/C=C/NCc1cccc(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
HPGD P15428 3/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MMP13 P45452 1/20 0.47
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
GFER P55789 1/20 0.42
CYP2D6 P10635 1/20 0.42
FBP1 P09467 1/20 0.42
MAOB P27338 2/20 0.41
TP53 P04637 1/20 0.41
CTBP2 P56545 1/20 0.41
NR3C2 P08235 1/20 0.41
ASAH1 Q13510 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL15903179 1.00 ALDH1A1 (0.51) ALDH1A1HPGDNPC1MAPTRAB9A
SCHEMBL17320383 0.83 HDAC1 (0.46) ALDH1A1HPGDNPC1MAPTRAB9A
SCHEMBL17313339 0.83 HDAC1 (0.46) ALDH1A1HPGDNPC1MAPTRAB9A
SCHEMBL15899385 0.82 ALDH1A1 (0.62) ALDH1A1HPGDNPC1MAPTRAB9A
SCHEMBL15899383 0.82 ALDH1A1 (0.62) ALDH1A1HPGDNPC1MAPTRAB9A
SCHEMBL17320379 0.80 ALDH1A1 (0.61) ALDH1A1HPGDNPC1MAPTRAB9A
SCHEMBL15905318 0.80 ALDH1A1 (0.61) ALDH1A1HPGDNPC1MAPTRAB9A
SCHEMBL17321119 0.80 THRB (0.50) HPGDNPC1MAPTRAB9AKDM4E
SCHEMBL13373203 0.78 ALDH1A1 (0.47) ALDH1A1HPGDNPC1MAPTRAB9A
SCHEMBL3306896 0.76 ADH1B (0.59) ALDH1A1HPGDMMP13HSD17B10KDM4E

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-9376387-B2 Oxidisable pyridine derivatives, their preparation and use as anti-alzheimer agents INSA INST NAT DES SCIENCES APPLIQUEES DE ROUEN (FR) 2016-06-28 US disclosed
US-9376387-B2 Oxidisable pyridine derivatives, their preparation and use as anti-alzheimer agents INSA INST NAT DES SCIENCES APPLIQUEES DE ROUEN (FR) 2016-06-28 US disclosed
US-20150353493-A1 OXIDISABLE PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-ALZHEIMER AGENTS INSA (INSTITUT NATIONAL DES SCIENCES APPLIQUEES DE ROUEN (FR) 2015-12-10 US disclosed
US-20150353493-A1 OXIDISABLE PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-ALZHEIMER AGENTS INSA (INSTITUT NATIONAL DES SCIENCES APPLIQUEES DE ROUEN (FR) 2015-12-10 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-20150353493-A1 OXIDISABLE PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-ALZHEIMER AGENTS CBR3, CBR1, CYB5R3 ALDH1A1 3811/4885HPGD 755/4885NPC1 748/4885

“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.