SCHEMBL17852136

SCHEMBL17852136

O=C1c2cc3ccccc3cc2-c2c(Br)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADORA2A P29274 1/20 0.44
MAPK1 P28482 4/20 0.41
TSHR P16473 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CYP3A4 P08684 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PABPC1 P11940 1/20 0.41
DNMT1 P26358 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
SCHEMBL17852139 0.85 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL29679284 0.82 PTPRC (0.57) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL2079031 0.82 PTPRC (0.57) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL15678555 0.80 CA1 (0.52) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL24991289 0.79 MEN1 (0.48) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL472644 0.78 ADORA2A (0.57) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL8894831 0.78 ADORA2A (0.75) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL1325322 0.78 PTPRC (0.58) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL5412322 0.78 MAPT (0.54) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL236156 0.77 MEN1 (0.67) ALDH1A1MAPTMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11566033-B2 Compound and an organic semiconducting layer comprising the same NOVALED GMBH (DE) 2023-01-31 US disclosed
EP-3502116-B1 COMPOUND AND AN ORGANIC SEMICONDUCTING LAYER COMPRISING THE SAME NOVALED GMBH (DE) 2020-11-25 EP disclosed
US-20200339614-A1 Compound and an Organic Semiconducting Layer Comprising the Same NOVALED GMBH (DE) 2020-10-29 US disclosed
CN-111683954-A Compound and organic semiconductor layer comprising the same 诺瓦尔德股份有限公司 2020-09-18 CN disclosed
EP-3502116-A1 COMPOUND AND AN ORGANIC SEMICONDUCTING LAYER COMPRISING THE SAME Novaled GmbH (DE) 2019-06-26 EP disclosed
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 (3 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 605/4885MAPT 4639/4885MEN1 1272/4885
US-11566033-B2 Compound and an organic semiconducting layer comprising the same NR2E3, NR2C2, C1R ALDH1A1 2727/4885MAPT 4794/4885MEN1 2191/4885
US-20200339614-A1 Compound and an Organic Semiconducting Layer Comprising the Same NR2E3, C3AR1, C1R ALDH1A1 2818/4885MAPT 4786/4885MEN1 1927/4885

“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.