SCHEMBL19757724

SCHEMBL19757724

C[SiH](C)c1ccc(Br)cc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 3/20 0.42
▸ GABRA5 P31644 3/20 0.42
▸ GABRA2 P47869 3/20 0.42
▸ GABRB2 P47870 3/20 0.42
▸ GABRA3 P34903 2/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ TP53 P04637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ PRKD3 O94806 2/20 0.39

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
SCHEMBL19757723 0.76 BACE1 (0.34) ALDH1A1NPC1RAB9AKDM4ELMNA
SCHEMBL364027 0.74 MAPK1 (0.52) PTGDR2MAPK1ALDH1A1NPC1TSHR
SCHEMBL29776868 0.74 ALDH1A1 (0.42) MAPK1ALDH1A1HPGDSMN1; SMN2ESR2
SCHEMBL16562891 0.74 ALDH1A1 (0.42) MAPK1ALDH1A1HPGDSMN1; SMN2ESR2
SCHEMBL19190198 0.74 PTPRC (0.56) PTGDR2MAPK1ALDH1A1NPC1TSHR
SCHEMBL30006434 0.74 MAPK1 (0.52) PTGDR2MAPK1ALDH1A1NPC1TSHR
SCHEMBL6326863 0.74 ESR2 (0.48) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL3007914 0.73 MAPK1 (0.58) PTGDR2MAPK1ALDH1A1NPC1TSHR
SCHEMBL14816711 0.72 NPC1 (0.36) MAPK1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL16943347 0.71 ALDH1A1 (0.48) PTGDR2MAPK1ALDH1A1NPC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180006225-A1 Compositions with Triarylamine Derivatives and Oled Device Containing the Same DOW GLOBAL TECHNOLOGIES LLC 2018-01-04 — — 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-20180006225-A1 Compositions with Triarylamine Derivatives and Oled Device Containing the Same DRD2, NSD2, DRD4 GABRA1 4378/4885GABRA5 3847/4885GABRA2 4079/4885

“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.

Send feedback