SCHEMBL3785229

SCHEMBL3785229

CCNc1cc(NCC)cc(B(O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.39
LIPG Q9Y5X9 9/20 0.39
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
TRPA1 O75762 1/20 0.33
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
MGLL Q99685 1/20 0.31
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL3781727 0.86 KDM4E (0.38) LPLLIPGADRA2AADRA2BADRA2C
SCHEMBL12229096 0.80 MAPT (0.41) ADRA2AADRA2BADRA2CTRPA1CYP3A4
SCHEMBL3785277 0.79 LPL (0.46) LPLLIPGCYP3A4MAPTTRPV1
SCHEMBL3786914 0.77 LPL (0.54) LPLLIPGADRA2AADRA2BADRA2C
SCHEMBL3789991 0.73 CA2 (0.35) LPLLIPGCA2CA1TSHR
SCHEMBL3793129 0.69 EGFR (0.40) ADRA2AADRA2BADRA2CTSHRRECQL
SCHEMBL21308005 0.69 CA2 (0.35) LPLLIPGCA2CA1TSHR
SCHEMBL4596227 0.69 LMNA (0.44) ADRA2AADRA2BADRA2CCA2CA1
SCHEMBL3785827 0.68 LPL (0.44) LPLLIPGCA2CA1CYP3A4
SCHEMBL3781394 0.67 ADRA2A (0.42) LPLLIPGADRA2AADRA2BADRA2C

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 LPL 3816/4885LIPG 3010/4885ADRA2A 3331/4885

“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.