SCHEMBL3789131

SCHEMBL3789131

CCOC(=O)Nc1ccccc1B(O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
HPGD P15428 2/20 0.60
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NLRP3 Q96P20 3/20 0.50
MAOB P27338 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 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
SCHEMBL3790194 0.86 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A2CYP2C19CYP2C9
SCHEMBL28401182 0.86 ALDH1A1 (0.72) ALDH1A1HPGDCYP1A2CYP2C19CYP2C9
SCHEMBL1063087 0.84 SMN1; SMN2 (0.64) ALDH1A1HPGDCYP1A2CYP2C19CYP2C9
SCHEMBL3781107 0.83 ALDH1A1 (0.60) ALDH1A1HPGDCYP1A2CYP2C19CYP2C9
SCHEMBL3785629 0.83 NPC1 (0.68) ALDH1A1SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL3638868 0.82 HPGD (0.49) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL30593915 0.81 NPC1 (0.71) ALDH1A1HPGDCYP1A2CYP2C19CYP2C9
SCHEMBL69360 0.81 NPC1 (0.71) ALDH1A1HPGDCYP1A2CYP2C19CYP2C9
SCHEMBL3789898 0.80 CYP1A2 (0.58) ALDH1A1HPGDCYP1A2CYP2C19CYP2C9
SCHEMBL3788248 0.80 CYP1A2 (0.54) ALDH1A1HPGDCYP1A2CYP2C19CYP2C9

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 4339/4885HPGD 2790/4885CYP1A2 170/4885

“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.