SCHEMBL2810801

SCHEMBL2810801

CC(C)(C)c1cc(CCl)no1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.49
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 1/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK14 Q16539 3/20 0.34
EPHX2 P34913 2/20 0.34
ATM Q13315 1/20 0.34
BRD4 O60885 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 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
SCHEMBL3763619 0.84 EGFR (0.36) EGFRMEN1KMT2ASMN1; SMN2
SCHEMBL9610944 0.81 MEN1 (0.44) EGFRMEN1KMT2AHPGDNPC1
SCHEMBL19179708 0.79 MEN1 (0.43) EGFRMEN1KMT2AHPGDNPC1
SCHEMBL2733286 0.79 EGFR (0.45) EGFRMEN1KMT2AHPGDNPC1
SCHEMBL14067392 0.78 EGFR (0.33) EGFR
SCHEMBL12203125 0.78 MEN1 (0.42) EGFRMEN1KMT2AHPGDNPC1
SCHEMBL18471502 0.76 MEN1 (0.41) EGFRMEN1KMT2AHPGDNPC1
SCHEMBL21672545 0.76 EGFR (0.42) EGFRMEN1KMT2AHPGDNPC1
SCHEMBL21325316 0.76 MEN1 (0.41) EGFRMEN1KMT2AHPGDNPC1
SCHEMBL18471563 0.76 MEN1 (0.41) EGFRMEN1KMT2AHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309589-B2 Fluorine-containing organosulfur compound and pesticidal composition comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-13 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-7846956-B2 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-07 US disclosed
US-20100240722-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION COMPRISING THE SAME Sumitomoo Chemical Company, Limited (JP) 2010-09-23 US disclosed
EP-2190821-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION COMPRISING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP 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
WO-2009028727-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-05 WO disclosed
EP-1704143-B1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-09-03 EP 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 (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-20100240722-A1 FLUORINE-CONTAINING ORGANOSULFUR COMPOUND AND PESTICIDAL COMPOSITION COMPRISING THE SAME CBR3, CYCS, DDT EGFR 2170/4885MEN1 502/4885KMT2A 1511/4885
US-20090149425-A1 Malononitrile compound as pesticides NR0B1, RTN4, OR10J3 EGFR 2255/4885MEN1 929/4885KMT2A 3120/4885

“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.