SCHEMBL3760684

SCHEMBL3760684

CC(Cl)c1cc(C(C)(C)C)on1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
EGFR P00533 1/20 0.40
RET P07949 2/20 0.37
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK14 Q16539 3/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL84836 0.83 MEN1 (0.44) KMT2AMEN1EGFRRETALDH1A1
SCHEMBL25796460 0.80 MEN1 (0.42) KMT2AMEN1EGFRRETALDH1A1
SCHEMBL24132390 0.80 MEN1 (0.42) KMT2AMEN1EGFRRETALDH1A1
SCHEMBL3765590 0.80 MEN1 (0.42) KMT2AMEN1EGFRRETALDH1A1
SCHEMBL26151606 0.80 MEN1 (0.42) KMT2AMEN1EGFRRETBRD4
SCHEMBL5826874 0.78 EGFR (0.40) KMT2AMEN1EGFRRETALDH1A1
SCHEMBL26152889 0.78 MEN1 (0.43) KMT2AMEN1EGFRRETBRD4
SCHEMBL23966715 0.77 MEN1 (0.40) KMT2AMEN1EGFRRETALDH1A1
SCHEMBL23966716 0.74 MEN1 (0.41) KMT2AMEN1EGFRRETALDH1A1
SCHEMBL3767575 0.74 SMN1; SMN2 (0.41) KMT2AMEN1ALDH1A1MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846956-B2 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-07 US disclosed
US-7846956-B2 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-07 US disclosed
US-7846956-B2 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-07 US disclosed
US-20090149425-A1 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-11 US disclosed
US-20090149425-A1 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-11 US disclosed
US-20090149425-A1 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-11 US disclosed
EP-1704143-B1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-09-03 EP disclosed
EP-1704143-A1 MALONONITRILE COMPOUND AS PESTICIDES Sumitomo Chemical Company, Limited (JP) 2006-09-27 EP disclosed
WO-2005068432-A1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-28 WO 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-20090149425-A1 Malononitrile compound as pesticides NR0B1, RTN4, OR10J3 KMT2A 3120/4885MEN1 929/4885EGFR 2255/4885

“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.