SCHEMBL9944267

SCHEMBL9944267

CC(C)(C)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.59
▸ AKR1C3 P42330 1/20 0.53
▸ LOXL2 Q9Y4K0 1/20 0.50
▸ MAOB P27338 2/20 0.49
▸ TSHR P16473 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL10892506 0.81 IDO1 (0.59) IDO1AKR1C3LOXL2MAOBTSHR
SCHEMBL27451137 0.80 TSHR (0.50) IDO1LOXL2TSHR
SCHEMBL648537 0.79 AGXT (0.39) IDO1TSHR
SCHEMBL25456599 0.79 IDO1 (0.56) IDO1AKR1C3LOXL2MAOBTSHR
SCHEMBL293415 0.79 IDO1 (0.66) IDO1AKR1C3LOXL2MAOBTSHR
SCHEMBL11121581 0.78 MAOB (0.50) IDO1AKR1C3MAOBMAPTALDH1A1
SCHEMBL37463 0.78 IDO1 (0.70) IDO1AKR1C3LOXL2MAOBTSHR
SCHEMBL8062311 0.78 IDO1 (0.70) IDO1AKR1C3LOXL2MAOBTSHR
SCHEMBL11534535 0.77 IDO1 (0.54) IDO1AKR1C3LOXL2MAOBTSHR
SCHEMBL4404861 0.76 IDO1 (0.57) IDO1AKR1C3LOXL2MAOBTSHR

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-8772290-B2 Alpha-arylmethoxyacrylate derivative, preparation method thereof, and pharmaceutical composition containing same Oscotech Inc. (KR) 2014-07-08 — — US disclosed
US-20120149707-A1 ALPHA-ARYLMETHOXYACRYLATE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME OSCOTEC INC. (KR) 2012-06-14 — — 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-20120149707-A1 ALPHA-ARYLMETHOXYACRYLATE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME HIF1A, HIF1AN, EGLN3 IDO1 1515/4885AKR1C3 28/4885LOXL2 1741/4885

“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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