SCHEMBL4923005

SCHEMBL4923005

C#CC(C)(C)Nc1ccc2oc(=O)cc(C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.51
▸ CA9 Q16790 3/20 0.51
▸ CA4 P22748 1/20 0.51
▸ ALDH1A1 P00352 11/20 0.48
▸ KDM4E B2RXH2 10/20 0.48
▸ HPGD P15428 6/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ CA1 P00915 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAOA P21397 1/20 0.43
▸ STS P08842 1/20 0.43
▸ GAA P10253 3/20 0.42
▸ GLA P06280 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ AKR1B1 P15121 1/20 0.42
▸ MCL1 Q07820 1/20 0.42

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
SCHEMBL4929354 0.89 CA12 (0.65) CA12CA9CA4ALDH1A1KDM4E
SCHEMBL4926086 0.78 ALDH1A1 (0.50) CA12CA9CA4ALDH1A1KDM4E
SCHEMBL8071986 0.74 PON1 (0.63) CA12CA9ALDH1A1KDM4EHPGD
SCHEMBL26499773 0.74 CA12 (0.62) CA12CA9ALDH1A1KDM4EHPGD
SCHEMBL11239562 0.72 CA12 (0.57) CA12CA9ALDH1A1KDM4EHPGD
SCHEMBL20870224 0.72 ALDH1A1 (0.64) CA12CA9CA4ALDH1A1KDM4E
SCHEMBL11239564 0.70 CA12 (0.58) CA12CA9ALDH1A1KDM4EHPGD
SCHEMBL30636721 0.70 ALDH1A1 (0.64) CA12CA9ALDH1A1KDM4EHPGD
SCHEMBL67818 0.70 ALDH1A1 (0.64) CA12CA9ALDH1A1KDM4EHPGD
SCHEMBL27523022 0.69 ALDH1A1 (0.62) CA12CA9ALDH1A1KDM4EHPGD

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 3 patents. 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
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
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 3628/4885CA9 2007/4885CA4 2490/4885

“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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