SCHEMBL3784763

SCHEMBL3784763

CCOC(=O)Nc1cc(NC(=O)OCC)cc(B(O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
MAPK1 P28482 2/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL11767621 0.87 KDM4E (0.70) KDM4EMAPK1LMNAMAPTHSD17B10
SCHEMBL3786631 0.84 MAPK1 (0.62) MAPK1LMNAMAPTHSD17B10CYP1A2
SCHEMBL3784903 0.83 RAB9A (0.58) KDM4EMAPK1LMNAMAPTHSD17B10
SCHEMBL3787022 0.82 SMN1; SMN2 (0.47) KDM4EMAPK1MAPTCYP3A4ALDH1A1
SCHEMBL3786311 0.79 KDM4E (0.60) KDM4EMAPK1LMNAMAPTHSD17B10
SCHEMBL28467090 0.79 KDM4E (0.60) KDM4EMAPK1LMNAMAPTHSD17B10
SCHEMBL10791960 0.78 KDM4E (0.64) KDM4EMAPK1LMNAMAPTHSD17B10
SCHEMBL7565149 0.77 MAPK1 (0.81) KDM4EMAPK1LMNAMAPTHSD17B10
SCHEMBL3790803 0.76 MGLL (0.59) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11660513 0.76 KDM4E (0.93) KDM4EMAPK1LMNAMAPTHSD17B10

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 KDM4E 2606/4885MAPK1 4726/4885LMNA 3250/4885

“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.