SCHEMBL18579241

SCHEMBL18579241

COC(C)c1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ ALDH1A1 P00352 10/20 0.43
▸ MAPT P10636 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PDK1 Q15118 1/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KAT2B Q92831 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL29561079 1.00 TSHR (0.55) TSHRCYP3A4ALDH1A1MAPTLMNA
SCHEMBL22897643 0.87 TSHR (0.55) TSHRCYP3A4ALDH1A1MAPTLMNA
SCHEMBL11892523 0.85 TSHR (0.53) TSHRCYP3A4ALDH1A1MAPTLMNA
SCHEMBL18610149 0.83 TSHR (0.38) TSHRCYP3A4LMNA
SCHEMBL11512601 0.83 TDP1 (0.49) TSHRALDH1A1MAPTLMNAMAPK1
SCHEMBL22897856 0.83 TSHR (0.50) TSHRCYP3A4ALDH1A1MAPTLMNA
SCHEMBL2436246 0.82 TSHR (0.62) TSHRCYP3A4ALDH1A1MAPTLMNA
SCHEMBL16284327 0.82 TSHR (0.62) TSHRCYP3A4ALDH1A1MAPTLMNA
SCHEMBL22897654 0.82 ALDH1A1 (0.50) ALDH1A1MAPTLMNAMAPK1MEN1
SCHEMBL11893324 0.82 PDK1 (0.42) TSHRCYP3A4ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-03-16 — — US disclosed
EP-3998858-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO Corteva Agriscience LLC (US) 2022-05-25 — — EP disclosed
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 — — CN disclosed
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
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 — — WO 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
CN-108290832-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2018-07-17 — — CN disclosed
US-9661854-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-9661854-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-05-30 — — US disclosed
US-9617253-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-04-11 — — US disclosed
US-9617253-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-04-11 — — 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-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-20170064961-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-09 — — US 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-20170064961-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD TSHR 3383/4885CYP3A4 933/4885ALDH1A1 443/4885
US-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD TSHR 2668/4885CYP3A4 592/4885ALDH1A1 150/4885
US-20170066757-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD TSHR 3383/4885CYP3A4 933/4885ALDH1A1 443/4885
US-20170064962-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD TSHR 3383/4885CYP3A4 933/4885ALDH1A1 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.

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