SCHEMBL4016837

SCHEMBL4016837

O=C(O)/C=C/C(=O)N1CCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.66
LMNA P02545 1/20 0.62
NPC1 O15118 7/20 0.62
RAB9A P51151 7/20 0.62
MAPT P10636 7/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
NFKB1 P19838 4/20 0.62
NFKB2 Q00653 4/20 0.62
RELA Q04206 4/20 0.62
PKM P14618 3/20 0.62
HTT P42858 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
POLB P06746 2/20 0.60
CHRNA7 P36544 1/20 0.60
HPGD P15428 2/20 0.59
NOTUM Q6P988 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 1/20 0.58
STAT1 P42224 1/20 0.58

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
SCHEMBL4016843 1.00 ALDH1A1 (0.66) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL4017497 0.91 SMN1; SMN2 (0.65) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL4017502 0.91 SMN1; SMN2 (0.65) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL28195698 0.84 ALDH1A1 (0.74) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL789554 0.83 ALDH1A1 (0.71) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL29449730 0.83 ALDH1A1 (0.71) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL5492983 0.81 NOTUM (0.64) ALDH1A1LMNANPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL10741975 0.81 ALDH1A1 (0.69) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL30538003 0.81 ALDH1A1 (0.66) ALDH1A1LMNANPC1RAB9AMAPT
SCHEMBL10899996 0.80 NOTUM (0.62) ALDH1A1LMNANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482379-B2 Propenoyl hydrazides GEORGIA TECH RESEARCH CORPORATION (US) 2009-01-27 US disclosed
US-20050256058-A1 Propenoyl hydrazides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-17 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-20050256058-A1 Propenoyl hydrazides DNPEP, HPN, PREP ALDH1A1 2687/4885LMNA 2599/4885NPC1 2408/4885

“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.