SCHEMBL3790488

SCHEMBL3790488

COc1ccc(OC(=O)Nc2cccc(NC(=O)Oc3ccc(OC)cc3)c2Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.59
ALDH1A1 P00352 3/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
KDM4E B2RXH2 4/20 0.51
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.50
F10 P00742 1/20 0.49
POLB P06746 2/20 0.47
GPR35 Q9HC97 2/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TAAR1 Q96RJ0 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL3785818 0.86 KMT2A (0.73) GAAALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL3780963 0.85 KMT2A (0.56) GAAALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL3792698 0.81 ALDH1A1 (0.56) GAAALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL3783627 0.81 GPR35 (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL3794444 0.81 F10 (0.76) GAAALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3790083 0.78 ALDH1A1 (0.60) GAAALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL3783576 0.78 KMT2A (0.60) GAAALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL3780998 0.78 ALDH1A1 (0.52) GAAALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL8654528 0.78 ALDH1A1 (0.56) GAAALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL31141899 0.78 KMT2A (0.48) GAAALDH1A1HTTSMN1; SMN2KMT2A

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 GAA 1755/4885ALDH1A1 4339/4885HTT 3090/4885

“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.