SCHEMBL3784559

SCHEMBL3784559

O=C(c1cccc(C(=O)C(F)(F)F)c1Cl)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.46
PLA2G2D Q9UNK4 1/20 0.46
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 2/20 0.41
ACHE P22303 2/20 0.40
HDAC6 Q9UBN7 1/20 0.39
PDK1 Q15118 2/20 0.38
PDK2 Q15119 2/20 0.38
PDK3 Q15120 2/20 0.38
PDK4 Q16654 2/20 0.38
CES2 O00748 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTSS P25774 1/20 0.37
ALDH1A1 P00352 1/20 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
SCHEMBL2369282 0.90 TSHR (0.59) CES1PLA2G2DTSHRMAPK1HTT
SCHEMBL29477191 0.80 CES1 (0.58) CES1MAPK1HTTCES2KDM4E
SCHEMBL1471234 0.80 CES1 (0.58) CES1MAPK1HTTCES2KDM4E
SCHEMBL26599005 0.79 KAT6A (0.44) CES1PLA2G2DTSHRMAPK1HTT
SCHEMBL3793197 0.79 ALDH1A1 (0.47) CES1PLA2G2DTSHRMAPK1HTT
SCHEMBL28578531 0.78 CES1 (0.39) CES1PLA2G2DTSHRMAPK1HTT
SCHEMBL17709786 0.75 CES1 (0.36) CES1PLA2G2DMAPK1HTTKDM4E
SCHEMBL28593038 0.75 KDM4E (0.37) CES1PLA2G2DTSHRMAPK1HTT
SCHEMBL10587371 0.75 TSHR (0.57) CES1TSHRHTTPDK1PDK2
SCHEMBL2194781 0.74 CES1 (0.63) CES1PLA2G2DMAPK1HTTACHE

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 CES1 4009/4885PLA2G2D 4007/4885TSHR 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.