SCHEMBL3789362

SCHEMBL3789362

Nc1cccc(-c2ccccc2OCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 9/20 0.59
PTGER4 P35408 5/20 0.59
PTGER3 P43115 5/20 0.59
PTGER2 P43116 5/20 0.59
MAOB P27338 1/20 0.57
CYP19A1 P11511 1/20 0.56
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
MCL1 Q07820 1/20 0.53
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
RXRG P48443 1/20 0.52
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CFD P00746 1/20 0.48
LTA4H P09960 1/20 0.47
MAPK14 Q16539 1/20 0.47
GRM5 P41594 1/20 0.47

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
SCHEMBL3783759 0.91 MAOB (0.54) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL3792827 0.89 CYP19A1 (0.69) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL3786511 0.89 MAOB (0.55) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL7914164 0.86 NPC1 (0.52) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL201074 0.83 RXRA (0.70) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL3786776 0.82 MAPT (0.58) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL3786205 0.82 MAOB (0.54) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL3792778 0.82 MAOB (0.54) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL13739157 0.82 RXRA (0.59) PTGER1PTGER4PTGER3PTGER2MAOB
SCHEMBL3793105 0.81 PTPRC (0.55) MAPTMAPK1L3MBTL1GRM5MAOA

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 4 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
WO-2007072041-A1 THERAPEUTIC COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-06-28 WO disclosed
WO-2007072041-A1 THERAPEUTIC COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-06-28 WO 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 PTGER1 4834/4885PTGER4 4621/4885PTGER3 4016/4885

“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.