SCHEMBL22955396

SCHEMBL22955396

c1ccc(-c2cc(-c3cccc(-c4c5ccccc5c(-c5ccncc5)c5ccccc45)c3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
IMPDH2 P12268 3/20 0.43
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 1/20 0.42
PIK3CA P42336 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TNF P01375 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
PIK3CD O00329 1/20 0.38
AURKA O14965 1/20 0.38
CDK1 P06493 1/20 0.38
LYN P07948 1/20 0.38

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
SCHEMBL22955781 0.98 IMPDH2 (0.46) NOTUMIMPDH2MAPK1HSD17B10PIK3CA
SCHEMBL22955779 0.97 IMPDH2 (0.48) NOTUMIMPDH2MAPK1HSD17B10PIK3CA
SCHEMBL22955399 0.97 IMPDH2 (0.48) NOTUMIMPDH2MAPK1HSD17B10PIK3CA
SCHEMBL30386196 0.97 IMPDH2 (0.48) NOTUMIMPDH2MAPK1HSD17B10PIK3CA
SCHEMBL21240010 0.97 IMPDH2 (0.48) NOTUMIMPDH2MAPK1HSD17B10PIK3CA
SCHEMBL22956101 0.95 IMPDH2 (0.50) NOTUMIMPDH2MAPK1HSD17B10PIK3CA
SCHEMBL22955778 0.94 IMPDH2 (0.51) NOTUMIMPDH2MAPK1HSD17B10PIK3CA
SCHEMBL22955398 0.92 IMPDH2 (0.50) NOTUMIMPDH2MAPK1HSD17B10PIK3CA
SCHEMBL22955395 0.90 IMPDH2 (0.53) NOTUMIMPDH2MAPK1HSD17B10PIK3CA
SCHEMBL22955780 0.90 IMPDH2 (0.53) NOTUMIMPDH2MAPK1HSD17B10PIK3CA

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-20210036230-A1 Organic Material for an Electronic Optoelectronic Device and Electronic Device Comprising the Organic Material NOVALED GMBH (DE) 2021-02-04 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-20210036230-A1 Organic Material for an Electronic Optoelectronic Device and Electronic Device Comprising the Organic Material OCIAD1, OCIAD2, OR10J3 NOTUM 1226/4885IMPDH2 1257/4885MAPK1 1231/4885

“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.