SCHEMBL31465795

SCHEMBL31465795

Clc1ccc(Br)c(-c2ccccc2-c2ccccc2Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.55
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GCGR P47871 1/20 0.42
MAPK14 Q16539 1/20 0.42
GPR3 P46089 1/20 0.39
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2A6 P11509 1/20 0.38
PDK2 Q15119 1/20 0.37
HSD11B1 P28845 1/20 0.37
CHEK1 O14757 1/20 0.37
CXCR2 P25025 1/20 0.37
SMARCA2 P51531 1/20 0.37
PTPRC P08575 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL25893596 0.98 S100A4 (0.52) S100A4MAPK1ALDH1A1GCGRMAPK14
SCHEMBL31465791 0.87 S100A4 (0.50) S100A4MAPK1ALDH1A1GCGRMAPK14
SCHEMBL20598903 0.86 S100A4 (0.52) S100A4ALDH1A1TSHRSMN1; SMN2CYP2A6
SCHEMBL25962009 0.86 ALDH1A1 (0.54) S100A4MAPK1ALDH1A1HPGDTSHR
SCHEMBL23609918 0.85 S100A4 (0.48) S100A4ALDH1A1GPR3HPGDTSHR
SCHEMBL31674872 0.84 S100A4 (0.47) S100A4MAPK1ALDH1A1GCGRMAPK14
SCHEMBL30968565 0.84 S100A4 (0.47) S100A4MAPK1ALDH1A1GCGRMAPK14
SCHEMBL17068901 0.84 S100A4 (0.47) S100A4MAPK1ALDH1A1GCGRMAPK14
SCHEMBL30223349 0.84 ALDH1A1 (0.57) S100A4MAPK1ALDH1A1GCGRMAPK14
SCHEMBL29282857 0.82 S100A4 (0.41) S100A4MAPK1ALDH1A1GCGRMAPK14

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-20250081838-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2025-03-06 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-20250081838-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, AOC2 S100A4 2794/4885MAPK1 3686/4885ALDH1A1 508/4885

“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.