SCHEMBL17852139

SCHEMBL17852139

O=C1c2cc3ccccc3cc2-c2cccc(Br)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CES1 P23141 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL17852136 0.85 ALDH1A1 (0.44) ALDH1A1CASP1CASP7MAPK1TP53
SCHEMBL5055109 0.82 MAPT (0.57) ALDH1A1CASP1CASP7MAPK1MAPT
SCHEMBL29403074 0.82 MAPT (0.57) ALDH1A1CASP1CASP7MAPK1MAPT
SCHEMBL21224457 0.80 CA1 (0.52) ALDH1A1MAPK1HPGDTSHRHSD17B10
SCHEMBL6904504 0.80 MAOA (0.52) ALDH1A1MAPK1HPGDTSHRHSD17B10
SCHEMBL17283531 0.79 ALDH1A1 (0.59) ALDH1A1CASP1CASP7MAPK1TP53
SCHEMBL27712873 0.78 PTPRC (0.59) ALDH1A1CASP1CASP7MAPK1HPGD
SCHEMBL472644 0.78 ADORA2A (0.57) ALDH1A1MAPK1HPGDTSHRHSD17B10
SCHEMBL24730388 0.78 PTPRC (0.58) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL17121944 0.78 MAOA (0.64) ALDH1A1CASP1CASP7MAPK1TP53

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-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 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-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME L1CAM, H1-10, H1-0 ALDH1A1 605/4885CASP1 1304/4885CASP7 2588/4885

“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.