SCHEMBL19679985

SCHEMBL19679985

CC(=N)/C(C)=N/C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.42
HCAR2 Q8TDS4 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAOB P27338 1/20 0.41
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL19679977 0.84 ALDH1A1 (0.56) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL27342591 0.79 ALDH1A1 (0.58) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL23542519 0.78 ALDH1A1 (0.66) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL19007842 0.77 ALDH1A1 (0.56) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL23677901 0.77 ALDH1A1 (0.56) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL22808762 0.77 ALDH1A1 (0.56) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL20143281 0.76 ALDH1A1 (0.63) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL14394180 0.76 ALDH1A1 (0.63) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL7297834 0.76 ALDH1A1 (0.63) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL3993457 0.76 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349675-A1 NEW POLYOLEFIN CATALYST AND USE THEREOF SHANGHAI CHEMRUN CO. LTD. (CN) 2017-12-07 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-20170349675-A1 NEW POLYOLEFIN CATALYST AND USE THEREOF NOTUM, WEE1, FAR1 ALDH1A1 2899/4885TDP1 2950/4885MAPK1 3123/4885

“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.