SCHEMBL4719626

SCHEMBL4719626

CC(C)C(c1ccc(OC(F)(F)F)cc1)C(C#N)C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.45
ALDH1A1 P00352 5/20 0.41
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EPAS1 Q99814 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A2 P23975 2/20 0.36
EPHX1 P07099 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL27600858 0.84 PDE2A (0.54) PDE2AALDH1A1MAPTSLC6A4SLC6A3
SCHEMBL4656495 0.83 PDE2A (0.47) PDE2AALDH1A1TSHRMEN1TP53
SCHEMBL11444606 0.80 PDE2A (0.47) PDE2AALDH1A1TSHRMEN1TP53
SCHEMBL10194678 0.80 PDE2A (0.50) PDE2AALDH1A1TSHRMEN1TP53
SCHEMBL6092277 0.76 PDE2A (0.46) PDE2AALDH1A1TSHRMEN1TP53
SCHEMBL3699257 0.75 PDE2A (0.45) PDE2AALDH1A1TSHRMEN1TP53
Hydrochloric Acid SCHEMBL15775489 0.75 PDE2A (0.45) PDE2AALDH1A1TSHRMEN1TP53
SCHEMBL10157210 0.73 PDE2A (0.54) PDE2AALDH1A1TSHRMAPTSLC6A4
SCHEMBL2021163 0.73 PDE2A (0.54) PDE2AALDH1A1MAPTSLC6A4SLC6A3
SCHEMBL1729345 0.73 PDE2A (0.54) PDE2AALDH1A1MAPTSLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385817-B1 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-12-03 EP disclosed
US-7402691-B2 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-07-22 US disclosed
US-7402691-B2 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-07-22 US disclosed
US-7011838-B2 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-14 US disclosed
US-20050209323-A1 Malononitrile compounds and their use as pesticides OTAKA KEN 2005-09-22 US disclosed
CN-1523958-A Pesticide compositions comprising malononitrile compounds ס�ѻ�ѧ��ҵ��ʽ���� 2004-08-25 CN disclosed
US-20040143007-A1 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-22 US disclosed
US-20040142821-A1 Pesticide composition comprising malononitrile compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-22 US disclosed
US-20040138065-A1 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-15 US disclosed
EP-1392647-A1 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-03-03 EP disclosed
EP-1385817-A2 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-02-04 EP disclosed
EP-1385377-A1 PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-02-04 EP disclosed
WO-2002090320-A2 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-11-14 WO disclosed
WO-2002089579-A1 PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-11-14 WO disclosed
WO-2002090321-A1 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-11-14 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 (4 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-20050209323-A1 Malononitrile compounds and their use as pesticides C1S, C1R, C5 PDE2A 3830/4885ALDH1A1 1502/4885TSHR 2542/4885
US-20040143007-A1 Malononitrile compounds and their use as pesticides MAL2, ME1, CBR3 PDE2A 2907/4885ALDH1A1 1262/4885TSHR 3770/4885
US-20040138065-A1 Malononitrile compounds and their use as pesticides CBR1, MAL2, CBR3 PDE2A 3464/4885ALDH1A1 614/4885TSHR 3805/4885
US-20040142821-A1 Pesticide composition comprising malononitrile compounds CBR1, CBR3, ME1 PDE2A 3355/4885ALDH1A1 867/4885TSHR 3343/4885

“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.