SCHEMBL18579397

SCHEMBL18579397

C=C(C)c1cc(F)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
GPR35 Q9HC97 3/20 0.38
ALDH1A1 P00352 7/20 0.38
TDP1 Q9NUW8 3/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 4/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 2/20 0.36
RECQL P46063 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TTR P02766 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
PMP22 Q01453 1/20 0.36
KMT2A Q03164 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
SCHEMBL15172273 0.88 TDP1 (0.40) CYP1A2GPR35ALDH1A1TDP1ATM
SCHEMBL10630877 0.81 TSHR (0.47) CYP1A2GPR35ALDH1A1TDP1MAPT
SCHEMBL30640048 0.80 ALDH1A1 (0.40) CYP1A2GPR35ALDH1A1TDP1ATM
SCHEMBL21067054 0.80 ALDH1A1 (0.40) CYP1A2GPR35ALDH1A1TDP1ATM
SCHEMBL29559984 0.80 HCAR3 (0.40) ALDH1A1TDP1ATMLMNAMAPT
SCHEMBL22897791 0.80 HTT (0.41) CYP1A2GPR35ALDH1A1TDP1ATM
SCHEMBL26426262 0.80 ALDH1A1 (0.43) ALDH1A1TDP1LMNAMAPTHSD17B10
SCHEMBL29559705 0.80 ALDH1A1 (0.43) ALDH1A1TDP1LMNAMAPTHSD17B10
SCHEMBL13107196 0.78 PDGFRB (0.51) ALDH1A1TDP1LMNAMAPTHPGD
SCHEMBL10290570 0.77 TDP1 (0.41) CYP1A2GPR35ALDH1A1TDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108025189-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-07-02 CN disclosed
EP-3344600-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-02-24 EP disclosed
EP-3344599-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2020-12-09 EP disclosed
CN-108290832-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2020-11-27 CN disclosed
CN-108137489-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2020-11-20 CN disclosed
EP-3344600-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow Agrosciences LLC (US) 2018-07-11 EP disclosed
EP-3344599-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow Agrosciences LLC (US) 2018-07-11 EP disclosed
EP-3344339-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2018-07-11 EP disclosed
US-9661853-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-05-30 US disclosed
US-9661853-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-05-30 US disclosed
US-20170064961-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-09 US disclosed
US-20170064962-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-03-09 US disclosed
US-20170064961-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-09 US disclosed
US-20170066757-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-03-09 US disclosed
US-20170066757-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-03-09 US disclosed
US-20170064962-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-03-09 US disclosed
WO-2017040194-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-09 WO disclosed
WO-2017040742-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-09 WO disclosed
WO-2017040191-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-09 WO disclosed
WO-2017040742-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-09 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 (3 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-20170064961-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD CYP1A2 732/4885GPR35 3952/4885ALDH1A1 443/4885
US-20170066757-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD CYP1A2 732/4885GPR35 3952/4885ALDH1A1 443/4885
US-20170064962-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD CYP1A2 732/4885GPR35 3952/4885ALDH1A1 443/4885

“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.