SCHEMBL6982116

SCHEMBL6982116

CC(C)=C1C2CCC1c1c2cccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
GPR35 Q9HC97 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 3/20 0.37
ERN1 O75460 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
NR4A1 P22736 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL9269601 0.89 TDP1 (0.38) TDP1GPR35SMN1; SMN2TSHRERN1
SCHEMBL14977883 0.89 TDP1 (0.38) TDP1GPR35SMN1; SMN2TSHRERN1
SCHEMBL12446428 0.87 GPR35 (0.44) TDP1GPR35SMN1; SMN2TSHRERN1
SCHEMBL4572413 0.87 GPR35 (0.41) TDP1GPR35SMN1; SMN2TSHRERN1
SCHEMBL4572414 0.85 GPR35 (0.40) TDP1GPR35SMN1; SMN2TSHRERN1
SCHEMBL4572403 0.85 GPR35 (0.40) TDP1GPR35SMN1; SMN2TP53TSHR
SCHEMBL6979277 0.85 GPR35 (0.40) TDP1GPR35SMN1; SMN2TP53TSHR
SCHEMBL4572411 0.85 TDP1 (0.37) TDP1GPR35SMN1; SMN2TP53TSHR
SCHEMBL12677202 0.83 GPR35 (0.38) TDP1GPR35SMN1; SMN2TP53TSHR
SCHEMBL4572402 0.78 TDP1 (0.41) TDP1GPR35SMN1; SMN2TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11647749-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2023-05-16 US disclosed
US-9878970-B1 Process for the preparation of benzonorbornenes SYNGENTA CROP PROTECTION, LLC (US) 2018-01-30 US disclosed
US-20180016211-A1 PROCESS FOR THE PREPARATION OF BENZONORBORNENES SYNGENTA CROP PROTECTION, LLC (US) 2018-01-18 US disclosed
US-9796646-B2 Process for the preparation of benzonorbornenes SYNGENTA CROP PROTECTION, LLC (US) 2017-10-24 US disclosed
US-20170202220-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION, LLC (US) 2017-07-20 US disclosed
US-9642365-B2 Fungicidal compositions SYNGENTA CROP PROTECTION, LLC (US) 2017-05-09 US disclosed
US-20160192655-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION, LLC (US) 2016-07-07 US disclosed
US-9314022-B2 Fungicidal compositions SYNGENTA CROP PROTECTION, LLC (US) 2016-04-19 US disclosed
US-9115043-B2 Process for the preparation of benzonorbornenes SYNGENTA CROP PROTECTION, LLC (US) 2015-08-25 US disclosed
US-20150141712-A1 PROCESS FOR THE PREPARATION OF BENZONORBORNENES SYNGENTA PARTICIPATIONS AG (CH) 2015-05-21 US disclosed
US-20110207958-A1 PROCESS FOR THE PREPARATION OF BENZONORGORNENES SYNGENTA CROP PROTECTION LLC (US) 2011-08-25 US disclosed
US-20100216640-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-26 US disclosed
US-20100204482-A1 HETEROCYCLIC AMIDE DERIVATIVES USEFUL AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-08-12 US disclosed
US-20100204482-A1 HETEROCYCLIC AMIDE DERIVATIVES USEFUL AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-08-12 US disclosed
US-20100204287-A1 HETEROCYCLIC AMIDE DERIVATIVES USEFUL AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-08-12 US disclosed
US-7732469-B2 for controlling or preventing infestation of plants by phytopathogenic microorganisms, preferably fungi SYNGENTA CROP PROTECTION, INC. (US) 2010-06-08 US disclosed
US-7732469-B2 for controlling or preventing infestation of plants by phytopathogenic microorganisms, preferably fungi SYNGENTA CROP PROTECTION, INC. (US) 2010-06-08 US disclosed
US-20080227835-A1 Heterocyclic Amide Derivatives Useful as Microbiocides SYNGENTA CROP PROTECTION, INC. (US) 2008-09-18 US disclosed
US-20080227835-A1 Heterocyclic Amide Derivatives Useful as Microbiocides SYNGENTA CROP PROTECTION, INC. (US) 2008-09-18 US disclosed
WO-2007048556-A1 HETEROCYCLIC AMIDE DERIVATIVES USEFUL AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-05-03 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 (10 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-11647749-B2 Fungicidal compositions BROX, RER1, BLVRB TDP1 1537/4885GPR35 3687/4885SMN1; SMN2 2686/4885
US-20150141712-A1 PROCESS FOR THE PREPARATION OF BENZONORBORNENES CCL5, CXCR2, CXCR3 TDP1 3441/4885GPR35 3913/4885SMN1; SMN2 4720/4885
US-20100204482-A1 HETEROCYCLIC AMIDE DERIVATIVES USEFUL AS MICROBIOCIDES CBR3, CBR1, CYP8B1 TDP1 3661/4885GPR35 4032/4885SMN1; SMN2 4736/4885
US-20160192655-A1 FUNGICIDAL COMPOSITIONS BROX, RER1, BLVRB TDP1 1537/4885GPR35 3687/4885SMN1; SMN2 2686/4885
US-20100216640-A1 FUNGICIDAL COMPOSITIONS BROX, RER1, BLVRB TDP1 1545/4885GPR35 3642/4885SMN1; SMN2 2476/4885
US-20180016211-A1 PROCESS FOR THE PREPARATION OF BENZONORBORNENES CCL5, CXCR2, CXCR3 TDP1 3639/4885GPR35 3512/4885SMN1; SMN2 4731/4885
US-20170202220-A1 FUNGICIDAL COMPOSITIONS BROX, RER1, BLVRB TDP1 1537/4885GPR35 3687/4885SMN1; SMN2 2686/4885
US-20100204287-A1 HETEROCYCLIC AMIDE DERIVATIVES USEFUL AS MICROBIOCIDES CBR3, CBR1, CYP8B1 TDP1 3379/4885GPR35 3868/4885SMN1; SMN2 4724/4885
US-20110207958-A1 PROCESS FOR THE PREPARATION OF BENZONORGORNENES CBR1, CBR3, CYC1 TDP1 3399/4885GPR35 3286/4885SMN1; SMN2 4448/4885
US-20080227835-A1 Heterocyclic Amide Derivatives Useful as Microbiocides CBR3, CBR1, CYP8B1 TDP1 3870/4885GPR35 3375/4885SMN1; SMN2 4777/4885

“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.