SCHEMBL4927952

SCHEMBL4927952

O=c1ccc2cc(CCO)ccc2o1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.75
CA9 Q16790 9/20 0.75
CA2 P00918 5/20 0.75
CA3 P07451 5/20 0.75
CA4 P22748 5/20 0.75
CA5A P35218 5/20 0.75
CA7 P43166 5/20 0.75
CA14 Q9ULX7 5/20 0.75
CA5B Q9Y2D0 5/20 0.75
CA6 P23280 4/20 0.75
CA1 P00915 5/20 0.65
MCL1 Q07820 2/20 0.56
ALDH1A1 P00352 4/20 0.51
CYP19A1 P11511 1/20 0.50
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49

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
SCHEMBL30843838 1.00 CA12 (0.75) CA12CA9CA2CA3CA4
SCHEMBL5904495 0.88 CA12 (0.68) CA12CA9CA2CA3CA4
SCHEMBL10350668 0.86 CA12 (1.00) CA12CA9CA2CA3CA4
SCHEMBL21657215 0.83 CA12 (0.65) CA12CA9CA2CA3CA4
SCHEMBL1491019 0.81 CA9 (0.62) CA12CA9CA2CA3CA4
SCHEMBL23329308 0.80 CA12 (0.61) CA12CA9CA2CA3CA4
SCHEMBL8750141 0.79 CA12 (0.69) CA12CA9CA2CA3CA4
SCHEMBL31741273 0.79 CA12 (0.69) CA12CA9CA2CA3CA4
SCHEMBL28776384 0.79 CA12 (1.00) CA12CA9CA2CA3CA4
SCHEMBL3663606 0.79 CA12 (0.69) CA12CA9CA2CA3CA4

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 2007/4885CA2 3212/4885

“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.