SCHEMBL15831745

SCHEMBL15831745

Cc1ccccc1OCc1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.57
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
RXRG P48443 1/20 0.56
MRGPRX4 Q96LA9 1/20 0.48
AR P10275 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SGMS2 Q8NHU3 2/20 0.46
SCN8A Q9UQD0 1/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL3764673 0.86 RXRA (0.71) RXRARXRBRXRGL3MBTL1MAPT
SCHEMBL21928743 0.84 ALDH1A1 (0.48) MAOBARMAPTTDP1SCN8A
SCHEMBL8593901 0.83 RXRA (0.56) RXRARXRBRXRGL3MBTL1MAPT
SCHEMBL15872010 0.82 MAOB (0.47) MAOBMRGPRX4MAPTRAB9ANPC1
SCHEMBL70797 0.82 MAOB (0.60) MAOBRXRARXRBRXRGMRGPRX4
SCHEMBL20630939 0.81 MAPT (0.53) MAOBMRGPRX4L3MBTL1MAPTMAPK1
SCHEMBL1703348 0.80 RXRA (0.65) RXRARXRBRXRGMRGPRX4L3MBTL1
SCHEMBL7606605 0.80 RXRA (0.65) MAOBRXRARXRBRXRGL3MBTL1
SCHEMBL16850614 0.80 MAOB (0.57) MAOBMRGPRX4L3MBTL1MAPTMAPK1
SCHEMBL31715781 0.80 MAOB (0.57) MAOBL3MBTL1MAPK1RAB9ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115122-B2 Non-ATP dependent inhibitors of extracellular signal-regulated kinase (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-08-25 US disclosed
US-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-06-26 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-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) MAPK1, MAP3K1, MAP3K20 MAOB 3865/4885RXRA 2224/4885RXRB 2298/4885

“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.