SCHEMBL21546434

SCHEMBL21546434

C=Cc1ccccc1C(=C)NC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
PLK1 P53350 1/20 0.35
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL21389431 0.85 ALDH1A1 (0.36) ALDH1A1PLK1TSHR
SCHEMBL4903302 0.78 GAA (0.53) ALDH1A1PLK1GAAPOLBHPGD
SCHEMBL26146839 0.77 TGM2 (0.44) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL9246872 0.77 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL489258 0.77 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL25141448 0.76 ALDH1A1 (0.39) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL19955955 0.76 ALDH1A1 (0.39) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL25706764 0.76 ALDH1A1 (0.35) ALDH1A1GAA
SCHEMBL3146710 0.75 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2AKDM4E
Methyl Alcohol SCHEMBL28639807 0.75 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2AMAPT

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-20230151020-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE WUHAN TIANMA MICROELECTRONICS CO., LTD. (CN) 2023-05-18 US disclosed
EP-3512851-B1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LTD (GB) 2022-07-06 EP disclosed
WO-2020051967-A1 PREPARATION METHOD FOR (S)-GLYCIDYL PHTHALIMIDE 新发药业有限公司 2020-03-19 WO disclosed
EP-3194132-B1 HEAT INSULATION MATERIAL BASED ON AEROGEL UNIV DE LORRAINE (FR) 2019-11-06 EP 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-20230151020-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE OCIAD1, OCIAD2, EHD1 ALDH1A1 686/4885PLK1 4246/4885GAA 2122/4885

“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.