SCHEMBL31748581

SCHEMBL31748581

C=CC(C)(C)c1cc(-c2ccccc2)ncc1Br

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ IDO1 P14902 3/20 0.34
▸ TDO2 P48775 3/20 0.34
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ ASIC3 Q9UHC3 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MIF P14174 1/20 0.33
▸ IGF1R P08069 1/20 0.32

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
SCHEMBL31748343 0.85 LDHA (0.40) LDHAMEN1KMT2ANPC1RAB9A
SCHEMBL31748705 0.79 L3MBTL1 (0.37) LDHAMEN1KMT2ANPC1RAB9A
SCHEMBL31748495 0.79 LDHA (0.35) LDHAMEN1KMT2ANPC1RAB9A
SCHEMBL27405557 0.73 CYP1A2 (0.43) MEN1KMT2ANPC1RAB9AASIC3
SCHEMBL26433622 0.71 NPC1 (0.47) LDHANPC1RAB9AIDO1TDO2
SCHEMBL18788565 0.71 NPC1 (0.47) LDHANPC1RAB9AIDO1TDO2
SCHEMBL15420845 0.71 LDHA (0.57) LDHAMEN1KMT2ANPC1RAB9A
SCHEMBL21702881 0.71 LDHA (0.45) LDHAMEN1KMT2ANPC1RAB9A
SCHEMBL19781098 0.70 MAPK1 (0.46) LDHANPC1RAB9AIDO1TDO2
SCHEMBL22080319 0.68 LDHA (0.42) LDHAMEN1KMT2ANPC1RAB9A

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-20250393389-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2025-12-25 — — 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-20250393389-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LBR, LDLR, LIFR LDHA 254/4885MEN1 2920/4885KMT2A 4189/4885

“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.

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