SCHEMBL31433487

SCHEMBL31433487

[2H]C([2H])([2H])c1ccccc1-c1cc(Br)cc(Br)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LCK P06239 1/20 0.32
KDR P35968 1/20 0.32
JAK3 P52333 1/20 0.32
MAPK14 Q16539 1/20 0.32
HTR7 P34969 2/20 0.32
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPK1 P28482 1/20 0.31
MCL1 Q07820 1/20 0.31
NQO2 P16083 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PTPRC P08575 1/20 0.31

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
SCHEMBL7475844 0.81 TSHR (0.44) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28537533 0.76 ESR2 (0.43) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31621546 0.73 MAOB (0.38) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23422186 0.73 NPC1 (0.41) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30363280 0.73 NPC1 (0.41) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3523310 0.72 ALDH1A1 (0.54) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL961660 0.69 HTR7 (0.51) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30919711 0.69 HTR7 (0.51) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16954370 0.68 ALDH1A1 (0.34) ALDH1A1TDP1MAPK1PTPRCMAOB
SCHEMBL19897390 0.68 TSHR (0.50) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250107431-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2025-03-27 US disclosed
CN-119638751-A Light-emitting device including organometallic compound, electronic apparatus and electronic device including light-emitting device, and organometallic compound 三星显示有限公司 2025-03-18 CN 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-20250107431-A1 LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE ORGANOMETALLIC COMPOUND LAGE3, LEF1, ELP1 TSHR 3571/4885NPC1 4089/4885RAB9A 2573/4885

“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.