Sugi Predict

Sugi Predict / Compounds / SCHEMBL22897632

SCHEMBL22897632

SCHEMBL22897632

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ BACE1 P56817 1/20 0.41
▸ AR P10275 1/20 0.40
▸ GPR35 Q9HC97 5/20 0.40
▸ KCNMA1 Q12791 1/20 0.40
▸ EGFR P00533 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2327506 0.84 BACE1 (0.45) ESR1ESR2BACE1ARGPR35
SCHEMBL22897619 0.82 TSHR (0.45) GPR35ALDH1A1TSHRMAPK1MAPT
SCHEMBL29559661 0.82 TSHR (0.45) GPR35ALDH1A1TSHRMAPK1MAPT
SCHEMBL15172840 0.82 TSHR (0.58) GPR35KCNMA1ALDH1A1TSHRHPGD
SCHEMBL12713755 0.81 S100A4 (0.43) GPR35ALDH1A1TSHRMAPK1
SCHEMBL14576428 0.81 TDP1 (0.50) KCNMA1ALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL16042729 0.81 HPGD (0.51) ALDH1A1TSHRMAPK1HPGDSMN1; SMN2
SCHEMBL12824551 0.81 ALDH1A1 (0.56) ESR1ESR2ALDH1A1TSHRALOX15
SCHEMBL22897822 0.80 VCAM1 (0.55) MAPK1HPGDNPSR1MAPTKMT2A
SCHEMBL29559261 0.80 VCAM1 (0.55) MAPK1HPGDNPSR1MAPTKMT2A

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 5 patents. 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
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 — — WO 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

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-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD ESR1 4659/4885ESR2 4466/4885BACE1 1506/4885

“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.