SCHEMBL19320106

SCHEMBL19320106

O=Bc1cc(-c2ccc3ccccc3c2)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HPRT1 P00492 1/20 0.41
▸ GSTP1 P09211 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ CASP6 P55212 1/20 0.38

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
SCHEMBL17548884 0.79 CA1 (0.44) CA1CA2CA9MEN1KMT2A
SCHEMBL17177957 0.77 ALDH1A1 (0.56) CA1CA2CA9MEN1KMT2A
SCHEMBL28666971 0.76 ALDH1A1 (0.50) CA1CA2CA9MEN1KMT2A
SCHEMBL28659994 0.76 HPRT1 (0.44) CA1CA2CA9MEN1KMT2A
SCHEMBL2955956 0.76 CA1 (0.41) CA1CA2CA9MEN1KMT2A
SCHEMBL14167704 0.75 TDP1 (0.73) CA1CA2CA9MEN1KMT2A
SCHEMBL19325069 0.75 MEN1 (0.43) CA1CA2CA9MEN1KMT2A
SCHEMBL31442416 0.75 MEN1 (0.43) CA1CA2CA9MEN1KMT2A
SCHEMBL17540910 0.75 MEN1 (0.43) CA1CA2CA9MEN1KMT2A
SCHEMBL14979389 0.75 ALDH1A1 (0.61) CA1CA2CA9MEN1KMT2A

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-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 — — 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-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME ORAI2, VDAC2, PIEZO1 CA1 1944/4885CA2 1730/4885CA9 1349/4885

“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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