SCHEMBL6330182

SCHEMBL6330182

CC(C)(C)OC(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 11/20 0.50
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ ABCC1 P33527 8/20 0.45
▸ KCNMA1 Q12791 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL6225496 0.82 CRHBP (0.54) ABCB1CRHBPCRHR2ABCC1KCNMA1
SCHEMBL27502700 0.82 ABCB1 (0.53) ABCB1CRHBPCRHR2ABCC1KCNMA1
SCHEMBL4221601 0.79 ABCB1 (0.52) ABCB1CRHBPCRHR2ABCC1KCNMA1
SCHEMBL2273770 0.78 ELANE (0.46) ABCB1CRHBPCRHR2KCNMA1TSHR
SCHEMBL13890931 0.77 ALOX5 (0.43) ABCB1KCNMA1TSHRMEN1KMT2A
SCHEMBL5517515 0.77 GRIN2D (0.43) CRHBPCRHR2POLBHTTALDH1A1
SCHEMBL5897546 0.76 ESR1 (0.38) POLBHTTALDH1A1CYP3A4TSHR
SCHEMBL8365480 0.76 ABCB1 (0.49) ABCB1CRHBPCRHR2ABCC1KCNMA1
SCHEMBL7562427 0.76 ALDH1A1 (0.61) ABCB1CRHBPCRHR2ABCC1HTT
SCHEMBL3236492 0.76 ABCB1 (0.60) ABCB1ABCC1KCNMA1HTTALDH1A1

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-6866980-B2 Bis-o-aminophenol derivatives, poly-o-hydroxyamides, and polybenzoxazoles, usable in photosensitive compositions, dielectrics, buffer coatings, and microelectronics INFINEON TECHNOLOGIES AG (DE) 2005-03-15 — — US disclosed
US-20030104311-A1 Bis-o-aminophenol derivatives, poly-o-hydroxyamides, and polybenzoxazoles, usable in photosensitive compositions, dielectrics, buffer coatings, and microelectronics POLARIS INNOVATIONS LIMITED (IE) 2003-06-05 — — 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-20030104311-A1 Bis-o-aminophenol derivatives, poly-o-hydroxyamides, and polybenzoxazoles, usable in photosensitive compositions, dielectrics, buffer coatings, and microelectronics TET1, TET3, TET2 ABCB1 1494/4885CRHBP 1766/4885CRHR2 3433/4885

“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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