SCHEMBL4927728

SCHEMBL4927728

CC#CC(=O)Oc1ccc2cc[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.57
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
ENPP2 Q13822 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TYR P14679 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ESR1 P03372 1/20 0.39
CYP2A6 P11509 1/20 0.38
PPARD Q03181 1/20 0.38
AHR P35869 3/20 0.38
MAPT P10636 3/20 0.38
APP P05067 2/20 0.38
CMA1 P23946 1/20 0.38

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
SCHEMBL4923096 0.88 MAOA (0.57) MAOA
SCHEMBL3750809 0.80 MAOA (0.64) MAOAMEN1POLBMAPK1KMT2A
SCHEMBL26699113 0.78 MAOA (0.61) MAOAMEN1POLBMAPK1KMT2A
SCHEMBL373416 0.78 MAOA (0.61) MAOAMEN1POLBMAPK1KMT2A
SCHEMBL4960212 0.77 MEN1 (0.62) MAOAMEN1POLBMAPK1KMT2A
SCHEMBL31398363 0.77 MAOA (0.57) MAOAMEN1POLBMAPK1KMT2A
SCHEMBL30741579 0.76 MAOA (0.68) MAOAMEN1POLBMAPK1KMT2A
SCHEMBL27777770 0.76 MAOA (0.59) MAOAMEN1POLBMAPK1KMT2A
SCHEMBL16016305 0.75 MAOA (0.58) MAOAMEN1POLBMAPK1KMT2A
SCHEMBL13934406 0.73 MAOA (0.59) MAOAMEN1POLBMAPK1KMT2A

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 MAOA 1/4885MEN1 1950/4885POLB 571/4885

“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.