SCHEMBL20138901

SCHEMBL20138901

Brc1ccc([Si]2(c3ccccc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 3/20 0.39
NPC1 O15118 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2A6 P11509 1/20 0.33
PTPRC P08575 2/20 0.32
HTR2A P28223 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL31040329 1.00 ALDH1A1 (0.40) ALDH1A1TDP1MAPK1NPC1MEN1
SCHEMBL6255341 0.87 MEN1 (0.30) TDP1MEN1KMT2A
SCHEMBL31424212 0.87 MEN1 (0.30) TDP1MEN1KMT2A
SCHEMBL30753777 0.86 PTPRC (0.40) ALDH1A1TDP1MAPK1CYP2A6PTPRC
SCHEMBL17791418 0.86 PTPRC (0.40) ALDH1A1TDP1MAPK1CYP2A6PTPRC
SCHEMBL11978739 0.86 PTPRC (0.40) ALDH1A1TDP1MAPK1CYP2A6PTPRC
SCHEMBL25937361 0.85 PTPRC (0.43) ALDH1A1TDP1MAPK1CYP2A6PTPRC
SCHEMBL17877143 0.84 ALDH1A1 (0.44) ALDH1A1TDP1MAPK1NPC1MEN1
SCHEMBL20087474 0.84 MAPK1 (0.33) ALDH1A1MAPK1NPC1MEN1KMT2A
SCHEMBL25643746 0.84 THRB (0.33) TDP1

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-11440925-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2022-09-13 US disclosed
US-20210036245-A1 HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2021-02-04 US disclosed
EP-3728275-A1 HETEROAROMATIC COMPOUNDS Merck Patent GmbH (DE) 2020-10-28 EP disclosed
CN-111479815-A Heteroaromatic compounds 默克专利有限公司 2020-07-31 CN disclosed
EP-3538535-A1 COMPOUNDS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2019-09-18 EP disclosed
US-20190263841-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-08-29 US disclosed
WO-2018087020-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-05-17 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 (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-20190263841-A1 COMPOUNDS FOR ELECTRONIC DEVICES ETV6, EED, FES ALDH1A1 636/4885TDP1 4029/4885MAPK1 2169/4885
US-11440925-B2 Compounds for electronic devices ETV6, EED, FES ALDH1A1 636/4885TDP1 4029/4885MAPK1 2169/4885
US-20210036245-A1 HETEROAROMATIC COMPOUNDS ETV6, FES, LEF1 ALDH1A1 752/4885TDP1 4017/4885MAPK1 3471/4885

“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.