SCHEMBL1085944

SCHEMBL1085944

Nc1ccccc1C1CC1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM1A O60341 8/20 0.34
KDM1B Q8NB78 1/20 0.34
NOS1 P29475 3/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
GID4 Q8IVV7 1/20 0.31

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
SCHEMBL1802723 1.00 CYP3A4 (0.35) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL3684020 1.00 CYP3A4 (0.35) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL3689578 1.00 CYP3A4 (0.35) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL3682416 1.00 CYP3A4 (0.35) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL3289791 0.84 CYP3A4 (0.35) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL3548246 0.78 HTR2A (0.34) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL3152480 0.77 MEN1 (0.41) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL1801330 0.76 KDM1A (0.55) CYP3A4SMN1; SMN2KDM1AALDH1A1HTR2C
SCHEMBL2343607 0.76 HTR2A (0.49) SMN1; SMN2HTR2CHTR2B
SCHEMBL13100735 0.76 HTR2A (0.49) SMN1; SMN2HTR2CHTR2B

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 305 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230113346-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION LLC (US) 2023-04-13 US claimed
EP-2129223-B1 FUNGICIDAL COMPOSITIONS COMPRISING A CARBOXAMIDE DERIVATIVE, CYPRODINIL AND AN UNSATURATED FATTY ACID SYNGENTA PARTICIPATIONS AG (CH) 2016-12-14 EP claimed
US-20150366201-A1 FUNGICIDAL COMPOSITIONS COMPRISING A CARBOXAMIDE SYNGENTA PARTICIPATIONS AG (CH) 2015-12-24 US claimed
US-20150181877-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2015-07-02 US claimed
EP-2877025-A1 FUNGICIDAL COMPOSITIONS Syngenta Participations AG (CH) 2015-06-03 EP claimed
EP-1906730-B1 SEED TREATMENT METHOD SYNGENTA PARTICIPATIONS AG (CH) 2015-03-04 EP claimed
WO-2014016279-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2014-01-30 WO claimed
US-20130217745-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2013-08-22 US claimed
EP-2621277-A1 FUNGICIDAL COMPOSITIONS Syngenta Participations AG (CH) 2013-08-07 EP claimed
US-20130178491-A1 FUNGICIDAL COMPOSITION SYNGENTA CROP PROTECTION, LLC (US) 2013-07-11 US claimed
US-20100113552-A1 FUNGICIDAL COMPOSITION SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US claimed
EP-2150113-A1 FUNGICIDAL COMPOSITIONS Syngeta Participations AG (CH) 2010-02-10 EP claimed
EP-2129223-A2 FUNGICIDAL COMPOSITIONS COMPRISING A CARBOXAMIDE DERIVATIVE, CYPRODINIL AND AN UNSATURATED FATTY ACID Syngeta Participations AG (CH) 2009-12-09 EP claimed
WO-2009090038-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2009-07-23 WO claimed
US-20090124499-A1 ENHANCED FORMULATIONS SYNGENTA CROP PROTECTION, INC. (US) 2009-05-14 US claimed
WO-2008131901-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2008-11-06 WO claimed
WO-2008119439-A2 FUNGICIDAL COMPOSITIONS COMPRISING A CARBOXAMIDE DERIVATIVE, CYPRODINIL AND AN UNSATURATED FATTY ACID SYNGENTA PARTICIPATIONS AG (CH) 2008-10-09 WO claimed
EP-1906730-A2 SEED TREATMENT METHOD AND PESTICIDAL COMPOSITION Syngeta Participations AG (CH) 2008-04-09 EP claimed
EP-1480955-B1 O-CYCLOPROPYL-CARBOXANILIDES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-06-27 EP claimed
WO-2007003319-A2 SEED TREATMENT METHOD AND PESTICIDAL COMPOSITION SYNGENTA PARTICIPATIONS AG (CH) 2007-01-11 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20100113552-A1 FUNGICIDAL COMPOSITION CYCS, CYP1A2, CYP1A1 CYP3A4 91/4885ALOX15 141/4885CASP1 492/4885
US-20130178491-A1 FUNGICIDAL COMPOSITION CYP1A2, CYCS, FFAR3 CYP3A4 76/4885ALOX15 116/4885CASP1 391/4885
US-20150366201-A1 FUNGICIDAL COMPOSITIONS COMPRISING A CARBOXAMIDE CBR3, CBR1, C9 CYP3A4 129/4885ALOX15 2370/4885CASP1 245/4885
US-20090124499-A1 ENHANCED FORMULATIONS DDT, CYP3A43, PFAS CYP3A4 35/4885ALOX15 1024/4885CASP1 1822/4885
US-20150181877-A1 FUNGICIDAL COMPOSITIONS CYP51A1, ERG28, DPM1 CYP3A4 130/4885ALOX15 1375/4885CASP1 121/4885
US-20230113346-A1 FUNGICIDAL COMPOSITIONS BROX, RER1, BLVRB CYP3A4 393/4885ALOX15 2177/4885CASP1 182/4885
US-20130217745-A1 FUNGICIDAL COMPOSITIONS CBR3, C1S, C9 CYP3A4 121/4885ALOX15 2152/4885CASP1 541/4885

“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.