SCHEMBL4876931

SCHEMBL4876931

Brc1cccc([Si](c2cccc(Br)c2)(c2cccc(Br)c2)c2cccc(Br)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.38
C1S P09871 1/20 0.38
PARP1 P09874 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 4/20 0.37
AGXT P21549 2/20 0.37
METAP2 P50579 1/20 0.36
CYP1A2 P05177 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
KDM1A O60341 1/20 0.35

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
SCHEMBL4300967 0.93 ALDH1A1 (0.46) ALDH1A1MAPK1TDP1MEN1KMT2A
SCHEMBL5919703 0.93 ALDH1A1 (0.46) ALDH1A1MAPK1TDP1MEN1KMT2A
SCHEMBL31167613 0.93 ALDH1A1 (0.46) ALDH1A1MAPK1TDP1MEN1KMT2A
SCHEMBL25753179 0.85 GABRG2 (0.46) ALDH1A1MAPK1TDP1MEN1KMT2A
SCHEMBL25056770 0.83 ALDH1A1 (0.46) ALDH1A1MAPK1TDP1MEN1KMT2A
SCHEMBL34463537 0.83 ALDH1A1 (0.34) ALDH1A1MAPK1MEN1KMT2ANPC1
SCHEMBL25753169 0.83 GABRG2 (0.45) ALDH1A1MAPK1TDP1MEN1KMT2A
SCHEMBL31624247 0.83 CYP2A6 (0.54) ALDH1A1MAPK1TDP1MEN1KMT2A
SCHEMBL25753165 0.83 GABRG2 (0.45) ALDH1A1MAPK1TDP1MEN1KMT2A
SCHEMBL21263582 0.82 NPC1 (0.45) ALDH1A1MAPK1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396318-A Heterocyclic compound, light-emitting device including the same, and electronic apparatus 三星显示有限公司 2023-07-07 CN disclosed
US-20230217807-A1 HETEROCYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-06 US disclosed
US-20230217807-A1 HETEROCYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-06 US disclosed
US-20230217807-A1 HETEROCYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-06 US disclosed
US-7452658-B2 Molecular glass photoresists CORNELL UNIVERSITY (US) 2008-11-18 US disclosed
US-20080044757-A1 demonstrate a glass transition temperature significantly above room temperature as well as a low tendency towards crystallization; have a tetrahedral silane molecular core with four phenyl groups or four biphenyl groups CORNELL RESEARCH FOUNDATION, INC. (US) 2008-02-21 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-20230217807-A1 HETEROCYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE CRY1, CYP1A1, CYP1B1 ALDH1A1 14/4885MAPK1 1779/4885TDP1 3077/4885

“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.