SCHEMBL19624772

SCHEMBL19624772

C=C/C=C(\NC)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.39
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 2/20 0.35
TSHR P16473 3/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
SRC P12931 1/20 0.32
ALOX15 P16050 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
CES1 P23141 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 2/20 0.31
CHRM2 P08172 1/20 0.31

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
SCHEMBL13590751 0.80 MEN1 (0.39) ALDH1A1MAPK1TSHRHPGDLMNA
SCHEMBL14095076 0.80 CES2 (0.35) MAPK1GAAMAPTCES1MEN1
SCHEMBL12963614 0.79 TDP1 (0.45) AKT1TDP1ALDH1A1MAPK1TSHR
SCHEMBL10228486 0.79 TDP1 (0.35) TDP1ALDH1A1MAPK1TSHRGAA
SCHEMBL13066991 0.78 TDP1 (0.41) AKT1TDP1ALDH1A1MAPK1TSHR
SCHEMBL298945 0.78 TGM2 (0.47) AKT1ALDH1A1MAPK1TSHRGAA
SCHEMBL23585231 0.77 AKT1 (0.42) AKT1TDP1ALDH1A1MAPK1TSHR
SCHEMBL23969741 0.77 AKT1 (0.35) AKT1ALDH1A1HPGDLMNACES1
SCHEMBL23193036 0.75 NFE2L2 (0.38) AKT1TDP1ALDH1A1MAPK1TSHR
SCHEMBL23019643 0.75 TDP1 (0.41) TDP1ALDH1A1MAPK1TSHRGAA

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-20220177503-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-06-09 US disclosed
EP-3246317-A1 BTK INHIBITOR Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-11-22 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-20220177503-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SOD1, AP3M1, AP1M1 AKT1 4516/4885TDP1 2868/4885ALDH1A1 25/4885

“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.