SCHEMBL3765513

SCHEMBL3765513

CC(C)(O)c1cc(C=C(C#N)C#N)no1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.38
MAPT P10636 9/20 0.38
MEN1 O00255 9/20 0.38
KMT2A Q03164 9/20 0.38
LMNA P02545 6/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
CYP3A4 P08684 5/20 0.38
HPGD P15428 5/20 0.38
NFKB1 P19838 5/20 0.38
BLM P54132 5/20 0.38
PMP22 Q01453 5/20 0.38
NPSR1 Q6W5P4 4/20 0.38
CYP2C9 P11712 4/20 0.38
ALOX15 P16050 4/20 0.38
HIF1A Q16665 4/20 0.38
HSD17B10 Q99714 4/20 0.38
TSHR P16473 4/20 0.38
CYP1A2 P05177 4/20 0.38
TP53 P04637 3/20 0.38
THPO P40225 3/20 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
SCHEMBL5788631 0.75 RET (0.32) MEN1KMT2AEGFR
SCHEMBL3771801 0.74 EGFR (0.33) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4718726 0.72 EGFR (0.32) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL5789842 0.71
SCHEMBL5790591 0.71 RET (0.34)
SCHEMBL3764314 0.67 RET (0.32)
SCHEMBL3759544 0.66
SCHEMBL9868320 0.65 HCAR2 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL3765453 0.65 RET (0.33)
SCHEMBL13060542 0.65 HCRTR2 (0.31)

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 8 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-B1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-09-03 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-20090149425-A1 Malononitrile compound as pesticides NR0B1, RTN4, OR10J3 ALDH1A1 2751/4885MAPT 4148/4885MEN1 929/4885

“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.