SCHEMBL4198220

SCHEMBL4198220

O=C1CCC=C1c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
HTR2C P28335 1/20 0.36
NOTUM Q6P988 3/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.35
BRD4 O60885 1/20 0.35
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 1/20 0.34
PTGS2 P35354 2/20 0.33
LMNA P02545 2/20 0.33
CYP2A6 P11509 1/20 0.33
PTGS1 P23219 1/20 0.33
HCRTR1 O43613 1/20 0.33
S1PR4 O95977 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL5215863 0.79 CYP3A4 (0.43) SIGMAR1ALDH1A1MAPTKDM4EPTGS2
SCHEMBL14689869 0.79 HSD17B1 (0.42) CYP1A2MAPTGAA
SCHEMBL11133453 0.78 BACE1 (0.41) SIGMAR1CYP1A2ALDH1A1MAPTKDM4E
SCHEMBL2721721 0.75 BACE1 (0.53) BRD4ALDH1A1MAPTKDM4ETHRB
SCHEMBL7799451 0.72 SIGMAR1 (0.56) SIGMAR1HTR2CCYP1A2ALDH1A1MAPT
SCHEMBL24948978 0.71 HSP90AA1 (0.43) MAPTPTGS2PTGS1HSP90AA1FGFR1
SCHEMBL29822613 0.71 NOTUM (0.36) NOTUMCYP1A2ALDH1A1MAPTKDM4E
SCHEMBL13384396 0.69 CYP3A4 (0.41) SIGMAR1CYP1A2ALDH1A1MAPTPTGS2
SCHEMBL10761030 0.68 CYP3A4 (0.43) SIGMAR1HTR2CJAK2NTRK1MET
SCHEMBL30379506 0.68 CYP1A2 (0.36) SIGMAR1HTR2CCYP1A2MAPTPTGS2

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-8188088-B2 Ethenyl carboxamide derivatives useful as microbiocides SYNGENTA PARTICIPATIONS AG (CH) 2012-05-29 US disclosed
US-8188088-B2 Ethenyl carboxamide derivatives useful as microbiocides SYNGENTA PARTICIPATIONS AG (CH) 2012-05-29 US disclosed
US-8188088-B2 Ethenyl carboxamide derivatives useful as microbiocides SYNGENTA PARTICIPATIONS AG (CH) 2012-05-29 US disclosed
US-20090318495-A1 ETHENYL CARBOXAMIDE DERIVATIVES USEFUL AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-12-24 US disclosed
US-20090318495-A1 ETHENYL CARBOXAMIDE DERIVATIVES USEFUL AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-12-24 US disclosed
US-20090318495-A1 ETHENYL CARBOXAMIDE DERIVATIVES USEFUL AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-12-24 US disclosed
EP-2029530-A1 ETHENYL CARBOXAMIDE DERIVATIVES USEFUL AS MICROBIOCIDES Syngeta Participations AG (CH) 2009-03-04 EP disclosed
WO-2007144174-A1 ETHENYL CARBOXAMIDE DERIVATIVES USEFUL AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-12-21 WO disclosed
WO-2007144174-A1 ETHENYL CARBOXAMIDE DERIVATIVES USEFUL AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-12-21 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-20090318495-A1 ETHENYL CARBOXAMIDE DERIVATIVES USEFUL AS MICROBIOCIDES CD14, MSR1, ELANE SIGMAR1 440/4885HTR2C 1811/4885NOTUM 2254/4885

“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.