SCHEMBL3789461

SCHEMBL3789461

Nc1ccc(OCc2ccccc2)c(-c2ccccc2N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
MAOB P27338 2/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.49
MAOA P21397 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTGER1 P34995 4/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
APP P05067 1/20 0.44
LTA4H P09960 1/20 0.44
MAPK14 Q16539 1/20 0.44
BRD4 O60885 3/20 0.43
CYP2C9 P11712 1/20 0.41
IDO1 P14902 1/20 0.41
C5AR1 P21730 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL3793676 0.88 CYP19A1 (0.59) CYP19A1CYP11B1CYP11B2MAOBMAPT
SCHEMBL3787589 0.85 APP (0.54) MAOBMAPTL3MBTL1GAAMAOA
SCHEMBL3782154 0.84 PTGDR2 (0.63) CYP19A1CYP11B1CYP11B2MAOBMAPT
SCHEMBL30279504 0.84 PTGER1 (0.46) MAPTRAB9ASMN1; SMN2PTGER1APP
SCHEMBL3787470 0.83 PTGDR2 (0.57) CYP19A1CYP11B1CYP11B2MAOBMAPT
SCHEMBL11372714 0.82 MAPT (0.56) CYP19A1CYP11B1CYP11B2MAOBMAPT
SCHEMBL3784592 0.81 ALDH1A1 (0.55) MAPTL3MBTL1GAARAB9ASMN1; SMN2
SCHEMBL3786511 0.80 MAOB (0.55) CYP19A1CYP11B1CYP11B2MAOBMAPT
SCHEMBL5659691 0.80 MAOB (0.58) CYP19A1CYP11B1CYP11B2MAOBMAPT
SCHEMBL8298067 0.78 MAOB (0.56) CYP19A1CYP11B1CYP11B2MAOBMAPT

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 CYP19A1 176/4885CYP11B1 190/4885CYP11B2 79/4885

“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.