SCHEMBL3784501

SCHEMBL3784501

O=Cc1ccc(C=O)c(B(O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
PTGS2 P35354 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 6/20 0.41
ALDH5A1 P51649 3/20 0.41
ABAT P80404 3/20 0.41
TRIM24 O15164 2/20 0.41
TRIM33 Q9UPN9 2/20 0.41
AOX1 Q06278 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
CYP2A6 P11509 1/20 0.39
ALDH1A3 P47895 3/20 0.38
PTGER4 P35408 1/20 0.38
TYR P14679 2/20 0.37

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
SCHEMBL4734817 0.88 KDM4E (0.42) KDM4EPTGS2RAB9AALDH1A1TRIM24
SCHEMBL3783722 0.87 KDM4E (0.50) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL4310609 0.81 KDM4E (0.48) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL28947075 0.81 KDM4E (0.59) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL789495 0.81 ALDH1A1 (0.49) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL31317426 0.81 KDM4E (0.59) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL29957404 0.81 KDM4E (0.48) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL29421523 0.81 ALDH1A1 (0.49) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL31500180 0.79 ALDH1A1 (0.57) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL30987926 0.79 KDM4E (0.47) KDM4EPTGS2RAB9AALDH1A1ALDH5A1

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 KDM4E 2606/4885PTGS2 3544/4885RAB9A 1357/4885

“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.