SCHEMBL17283531

SCHEMBL17283531

O=C1c2c(Br)cccc2-c2cccc3cccc1c23

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
CES1 P23141 2/20 0.59
CES2 O00748 1/20 0.59
BCHE P06276 1/20 0.59
MCL1 Q07820 1/20 0.59
PABPC1 P11940 3/20 0.57
DNMT1 P26358 2/20 0.57
CASP1 P29466 2/20 0.57
CASP7 P55210 2/20 0.57
CYP3A4 P08684 1/20 0.57
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
MAPT P10636 4/20 0.50
MAPK1 P28482 3/20 0.50
HSD17B10 Q99714 3/20 0.46
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 2/20 0.46
TYMS P04818 2/20 0.45
PARP1 P09874 1/20 0.44

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
SCHEMBL31510118 0.88 MAPT (0.44) ALDH1A1CES1CES2BCHEMCL1
SCHEMBL16670486 0.84 ALDH1A1 (0.54) ALDH1A1CES1CES2BCHEMCL1
SCHEMBL30420926 0.82 ALDH1A1 (0.61) ALDH1A1CES1CES2BCHEMCL1
SCHEMBL27833733 0.82 ALDH1A1 (0.61) ALDH1A1CES1CES2BCHEMCL1
SCHEMBL21224457 0.81 CA1 (0.52) ALDH1A1CES1CES2BCHEMCL1
SCHEMBL6904504 0.81 MAOA (0.52) ALDH1A1CES1CES2BCHEPABPC1
SCHEMBL5055109 0.79 MAPT (0.57) ALDH1A1CES1CES2BCHEPABPC1
SCHEMBL29403074 0.79 MAPT (0.57) ALDH1A1CES1CES2BCHEPABPC1
SCHEMBL17852139 0.79 ALDH1A1 (0.45) ALDH1A1CES1CES2BCHEMCL1
SCHEMBL6118200 0.77 ALDH1A1 (0.44) ALDH1A1CES1CES2BCHEMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170092869-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-03-30 US disclosed
US-20170092869-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-03-30 US disclosed
WO-2015178585-A1 COMPOUND FOR ELECTRO-ORGANIC DEVICE, ELECTRO-ORGANIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2015-11-26 WO 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-20170092869-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF GPX1, OR51E2, PIEZO1 ALDH1A1 561/4885CES1 1533/4885CES2 1265/4885

“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.