SCHEMBL4927986

SCHEMBL4927986

C=CC(C)(C)Nc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.57
▸ CA9 Q16790 8/20 0.57
▸ CA12 O43570 7/20 0.57
▸ CA1 P00915 4/20 0.57
▸ LMNA P02545 2/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ CA4 P22748 1/20 0.54
▸ KDM4E B2RXH2 9/20 0.51
▸ GAA P10253 6/20 0.51
▸ HPGD P15428 6/20 0.51
▸ GLA P06280 5/20 0.51
▸ HSD17B10 Q99714 5/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ PKM P14618 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ CASP1 P29466 2/20 0.50
▸ CASP7 P55210 2/20 0.50
▸ MAOB P27338 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50

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
SCHEMBL4926086 0.89 ALDH1A1 (0.50) ALDH1A1CA9CA12CA1LMNA
SCHEMBL20870224 0.84 ALDH1A1 (0.64) ALDH1A1CA9CA12CA1LMNA
SCHEMBL4929354 0.78 CA12 (0.65) ALDH1A1CA9CA12CA1LMNA
SCHEMBL22501750 0.78 CA12 (0.65) ALDH1A1CA9CA12CA1LMNA
SCHEMBL3361958 0.77 ALDH1A1 (0.68) ALDH1A1CA9CA12CA1LMNA
SCHEMBL30862483 0.77 CA12 (0.71) ALDH1A1CA9CA12CA1KDM4E
SCHEMBL7917363 0.77 CA12 (0.71) ALDH1A1CA9CA12CA1KDM4E
SCHEMBL10134019 0.77 ALDH1A1 (0.62) ALDH1A1CA9CA12CA1LMNA
SCHEMBL29738214 0.77 ALDH1A1 (0.62) ALDH1A1CA9CA12CA1LMNA
SCHEMBL19022033 0.77 ALDH1A1 (0.62) ALDH1A1CA9CA12CA1LMNA

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 ALDH1A1 181/4885CA9 2007/4885CA12 3628/4885

“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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