SCHEMBL3783955

SCHEMBL3783955

Nc1cccc(B(O)O)c1Sc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
KDM1A O60341 1/20 0.34
LMNA P02545 1/20 0.34
ENPP2 Q13822 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
TYMS P04818 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SIRT1 Q96EB6 1/20 0.33

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
SCHEMBL3804714 0.80 SIRT1 (0.41) ALDH1A1HPGDLMNAKDM4ESIRT1
SCHEMBL10044986 0.80 POLB (0.36) ALDH1A1HPGDENPP2
SCHEMBL3792751 0.77 TSHR (0.36) ALOX15TSHRALDH1A1HPGDENPP2
SCHEMBL3784638 0.75 SIRT1 (0.43) SLC6A4ALDH1A1HPGDLMNATYMS
SCHEMBL3789252 0.73 LIPG (0.33) SLC6A4ALOX15TSHRALDH1A1ENPP2
SCHEMBL3793122 0.72 TSHR (0.48) SLC6A4ALOX15TSHRALDH1A1HPGD
SCHEMBL3785699 0.72 ALDH1A1 (0.52) SLC6A4ALOX15ALDH1A1HPGDKDM1A
SCHEMBL3786142 0.71 GCK (0.44) SLC6A4TSHRALDH1A1HPGDLMNA
SCHEMBL3799830 0.71 MAOA (0.43) SLC6A4TSHRALDH1A1HPGDLMNA
SCHEMBL29780861 0.71 CYP3A4 (0.47) ALOX15TSHRALDH1A1ENPP2CA7

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 SLC6A4 3330/4885ALOX15 1941/4885TSHR 1688/4885

“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.