SCHEMBL3790095

SCHEMBL3790095

COc1ccc(OC(=O)Nc2cccc(B(O)O)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.66
ALDH1A1 P00352 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
GAA P10253 1/20 0.66
HTT P42858 1/20 0.66
PDE3B Q13370 1/20 0.54
PDE3A Q14432 1/20 0.54
ENPP2 Q13822 2/20 0.53
CYP1A2 P05177 1/20 0.52
TP53 P04637 3/20 0.51
TSHR P16473 1/20 0.51
FAAH O00519 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNK9 Q9NPC2 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL21221847 0.88 CYP1A2 (0.62) NLRP3ALDH1A1SMN1; SMN2GAAHTT
SCHEMBL3785578 0.88 SMN1; SMN2 (0.60) NLRP3ALDH1A1SMN1; SMN2GAAHTT
SCHEMBL3783971 0.85 NLRP3 (0.59) NLRP3ALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL6349825 0.84 TP53 (0.73) NLRP3ALDH1A1SMN1; SMN2HTTPDE3B
SCHEMBL3791321 0.84 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2GAAHTTENPP2
SCHEMBL3786011 0.83 NPC1 (0.74) NLRP3ALDH1A1SMN1; SMN2GAAPDE3B
SCHEMBL10192020 0.82 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2GAAHTTCYP1A2
SCHEMBL3792715 0.81 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2GAAHTTCYP1A2
SCHEMBL14467689 0.81 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2GAAHTTCYP1A2
SCHEMBL3786854 0.80 GAA (0.51) NLRP3ALDH1A1SMN1; SMN2GAAHTT

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 NLRP3 1774/4885ALDH1A1 4339/4885SMN1; 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.