SCHEMBL3785277

SCHEMBL3785277

CCNc1cccc(B(O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.46
LIPG Q9Y5X9 3/20 0.46
ENPP2 Q13822 6/20 0.46
NLRP3 Q96P20 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MGLL Q99685 2/20 0.42
TRPV1 Q8NER1 1/20 0.39
KDR P35968 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4602668 0.82 LPL (0.53) LPLLIPGENPP2NLRP3KDM4E
SCHEMBL15150688 0.81 ENPP2 (0.46) LPLLIPGENPP2NLRP3KDM4E
SCHEMBL7268637 0.80 LPL (0.56) LPLLIPGENPP2ALDH1A1MGLL
SCHEMBL8626033 0.80 NLRP3 (0.40) LPLLIPGENPP2NLRP3KDM4E
SCHEMBL3785229 0.79 LPL (0.39) LPLLIPGNLRP3MGLLTRPV1
SCHEMBL3191409 0.79 ENPP2 (0.48) LPLLIPGENPP2NLRP3KDM4E
SCHEMBL3363357 0.79 MAPT (0.50) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL69849 0.78 ENPP2 (0.50) LPLLIPGENPP2NLRP3KDM4E
SCHEMBL2364427 0.78 NLRP3 (0.41) LPLLIPGENPP2NLRP3KDM4E
SCHEMBL21369168 0.77 ENPP2 (0.45) LPLLIPGENPP2NLRP3KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20170066812-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES CORPORATION 2017-03-09 US disclosed
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 (2 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 3010/4885ENPP2 1920/4885
US-20170066812-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR FGFR1, FGFR2, FGFR3 LPL 1796/4885LIPG 499/4885ENPP2 2574/4885

“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.