SCHEMBL31588096

SCHEMBL31588096

CC(C)(C)c1ccc(Nc2ccccc2[N+](=O)[O-])c(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.52
▸ MAPK1 P28482 5/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ GLA P06280 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ TDP1 Q9NUW8 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ AKR1C3 P42330 3/20 0.47
▸ AKR1C2 P52895 3/20 0.47
▸ MYC P01106 2/20 0.47
▸ MAPT P10636 5/20 0.45
▸ MAX P61244 1/20 0.45
▸ AKR1B1 P15121 1/20 0.44
▸ AKR1C4 P17516 1/20 0.44

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
SCHEMBL27170189 1.00 ALDH1A1 (0.52) ALDH1A1MAPK1RAB9ANPC1GLA
SCHEMBL26547896 0.90 ALDH1A1 (0.49) ALDH1A1MAPK1RAB9ANPC1GLA
SCHEMBL25629508 0.83 NPC1 (0.46) ALDH1A1MAPK1RAB9ANPC1GLA
SCHEMBL29028795 0.82 ALDH1A1 (0.42) ALDH1A1MAPK1RAB9ANPC1GLA
SCHEMBL2423134 0.80 ALDH1A1 (0.65) ALDH1A1MAPK1RAB9ANPC1TDP1
SCHEMBL23908292 0.77 NPC1 (0.38) ALDH1A1MAPK1RAB9ANPC1GLA
SCHEMBL30814266 0.77 MAPT (0.42) ALDH1A1MAPK1RAB9ANPC1CASP3
SCHEMBL27170178 0.77 MAPT (0.42) ALDH1A1MAPK1RAB9ANPC1CASP3
SCHEMBL28172411 0.76 MAPK1 (0.68) ALDH1A1MAPK1RAB9ANPC1GLA
SCHEMBL30561839 0.76 ALDH1A1 (0.44) ALDH1A1MAPK1RAB9ANPC1GLA

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-20250171480-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2025-05-29 — — US disclosed
CN-120025380-A Organic electroluminescent material and device 环球展览公司 2025-05-23 — — 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-20250171480-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES RUVBL2, RUVBL1, OPRD1 ALDH1A1 1789/4885MAPK1 615/4885RAB9A 1611/4885

“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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