SCHEMBL3789845

SCHEMBL3789845

Nc1cccc(B(O)O)c1Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MAOB P27338 1/20 0.40
MAOA P21397 1/20 0.39
LTA4H P09960 3/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
BRD4 O60885 1/20 0.37
ENPP2 Q13822 2/20 0.37
NR1H2 P55055 1/20 0.35
BAX Q07812 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
LIPE Q05469 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL7776603 0.80 LTA4H (0.52) CA1CA2MAOBMAOALTA4H
SCHEMBL3790554 0.80 ENPP2 (0.47) CA1CA2LTA4HTSHRALDH1A1
SCHEMBL3787782 0.77 ENPP2 (0.47) CA1CA2TSHRALDH1A1ENPP2
SCHEMBL21612705 0.76 MAOA (0.50) CA1CA2MAOBMAOALTA4H
SCHEMBL1365263 0.76 TSHR (0.48) CA1CA2MAOBMAOALTA4H
SCHEMBL3786173 0.75 ENPP2 (0.46) CA1CA2MAOBMAOAALDH1A1
SCHEMBL28890949 0.73 MAOB (0.61) MAOBMAOALTA4HTSHRALDH1A1
SCHEMBL2197549 0.73 ALDH1A1 (0.46) MAOBMAOALTA4HTSHRALDH1A1
SCHEMBL3790840 0.73 ENPP2 (0.34) TSHRALDH1A1ENPP2KDM4ECYP3A4
SCHEMBL22588357 0.73 ALDH1A1 (0.55) CA1CA2MAOBMAOALTA4H

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 CA1 3273/4885CA2 1992/4885MAOB 101/4885

“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.