SCHEMBL14088012

SCHEMBL14088012

CCCc1cc(-c2ccc3c(C)cc(=O)oc3c2)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.61
▸ CA1 P00915 2/20 0.61
▸ CA9 Q16790 2/20 0.61
▸ KDM4E B2RXH2 9/20 0.48
▸ ALDH1A1 P00352 9/20 0.48
▸ HPGD P15428 6/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ GAA P10253 4/20 0.47
▸ GLA P06280 3/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ AR P10275 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.41
▸ HSD17B3 P37058 1/20 0.41

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
SCHEMBL4926543 0.92 CA12 (0.61) CA12CA1CA9KDM4EALDH1A1
SCHEMBL14088013 0.87 CA12 (0.60) CA12CA1CA9KDM4EALDH1A1
SCHEMBL4922988 0.87 CA12 (0.55) CA12CA1CA9KDM4EALDH1A1
SCHEMBL4925091 0.81 CA9 (0.82) CA12CA1CA9KDM4EALDH1A1
SCHEMBL9612721 0.76 CA9 (1.00) CA12CA1CA9KDM4EALDH1A1
SCHEMBL5757395 0.68 POLB (0.47) ALDH1A1
SCHEMBL22882712 0.67 CA9 (0.76) CA12CA1CA9KDM4EALDH1A1
SCHEMBL11036894 0.67 CA9 (0.76) CA12CA1CA9KDM4EALDH1A1
SCHEMBL12617766 0.67 CYP1A1 (0.60) CA12CA1CA9KDM4EALDH1A1
SCHEMBL8168916 0.67 CA12 (0.71) CA12CA1CA9KDM4EALDH1A1

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-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 — — 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-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) MAOA, MAOB, COMT CA12 3628/4885CA1 1732/4885CA9 2007/4885

“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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