SCHEMBL6417297

SCHEMBL6417297

CCOC(=O)c1cc(O)n(C(=O)OC(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.40
▸ GAA P10253 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ FAAH O00519 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL8023407 0.85 ALDH1A1 (0.40) CYP1A2GAAKMT2AADORA3POLB
SCHEMBL28971335 0.84 NR1H2 (0.36) ADORA3FAAHKDM4ENR1H2ALDH1A1
SCHEMBL9079717 0.78 CYP1A2 (0.45) CYP1A2GAAKMT2ACA12CA1
SCHEMBL8040621 0.77 CYP1A2 (0.41) CYP1A2GAAKMT2ACA12CA1
SCHEMBL6417128 0.76 KMT2A (0.46) GAAKMT2APOLBMAPTCRHBP
SCHEMBL13883214 0.75 CHRNA7 (0.42) CA9FAAHKDM4ENR1H2ALDH1A1
SCHEMBL537688 0.74 CYP1A2 (0.47) CYP1A2GAAKMT2ACA12CA1
SCHEMBL2545801 0.74 ALDH1A1 (0.39) CYP1A2GAAKMT2AADORA3POLB
SCHEMBL21587690 0.74 ELANE (0.38) GAAPOLBFAAHALDH1A1HPGD
SCHEMBL28913938 0.73 KMT2A (0.41) CYP1A2GAAKMT2ACA12CA1

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-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-06-16 — — 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-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AHR, NQO1, ARNT CYP1A2 59/4885GAA 1397/4885KMT2A 1284/4885

“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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