SCHEMBL3784007

SCHEMBL3784007

CC(=O)c1cccc(C(C)=O)c1B(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 5/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
BRPF1 P55201 1/20 0.36
PBRM1 Q86U86 1/20 0.35
MEN1 O00255 1/20 0.35
NSD2 O96028 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MCL1 Q07820 1/20 0.35
PDK2 Q15119 1/20 0.35
ALOX15 P16050 1/20 0.35
MAOA P21397 1/20 0.34

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
SCHEMBL10799527 0.86 MMP2 (0.41) THRBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29469063 0.76 ENPP2 (0.41) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL519802 0.76 ENPP2 (0.41) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL3790199 0.76 KDM4E (0.48) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL3790283 0.76 MEN1 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL3784961 0.76 THRB (0.45) THRBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4323913 0.74 G6PD (0.38) THRBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1066809 0.74 CES2 (0.41) THRBALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL279655 0.73 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL7119411 0.72 KDM4E (0.55) THRBALDH1A1KDM4EHPGDLMNA

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 THRB 2265/4885ALDH1A1 4339/4885KDM4E 2606/4885

“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.