SCHEMBL3790083

SCHEMBL3790083

COc1ccc(OC(=O)Nc2ccccc2B(O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
GAA P10253 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
HTT P42858 1/20 0.60
KDM4E B2RXH2 4/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.51
F10 P00742 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
TAAR1 Q96RJ0 1/20 0.47
POLB P06746 1/20 0.45
LIPE Q05469 1/20 0.45
MAPT P10636 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 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
SCHEMBL3780998 0.87 ALDH1A1 (0.52) ALDH1A1GAASMN1; SMN2HTTKDM4E
SCHEMBL3792698 0.85 ALDH1A1 (0.56) ALDH1A1GAASMN1; SMN2HTTKDM4E
SCHEMBL3638868 0.82 HPGD (0.49) ALDH1A1SMN1; SMN2HTTHPGDF10
SCHEMBL3786480 0.82 F10 (0.77) ALDH1A1GAASMN1; SMN2F10KMT2A
SCHEMBL3787211 0.81 SMN1; SMN2 (0.56) ALDH1A1GAASMN1; SMN2HTTHPGD
SCHEMBL3788497 0.81 SMN1; SMN2 (0.56) ALDH1A1GAASMN1; SMN2HTTHPGD
SCHEMBL3785818 0.80 KMT2A (0.73) ALDH1A1GAASMN1; SMN2HTTKDM4E
SCHEMBL3790488 0.78 GAA (0.59) ALDH1A1GAASMN1; SMN2HTTKDM4E
SCHEMBL5133234 0.77 KMT2A (0.46) ALDH1A1GAAKDM4EHPGDKMT2A
SCHEMBL31141932 0.77 KMT2A (0.52) ALDH1A1GAASMN1; SMN2HTTKDM4E

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 ALDH1A1 4339/4885GAA 1755/4885SMN1; SMN2 4524/4885

“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.