SCHEMBL22897691

SCHEMBL22897691

CCCCc1ccc(OC)cc1NC(=O)CCl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ MTNR1A P48039 3/20 0.46
▸ MTNR1B P49286 3/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CASP2 P42575 1/20 0.45
▸ CNR1 P21554 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL22341225 0.92 KMT2A (0.48) POLBKMT2ANPSR1ALDH1A1CASP2
SCHEMBL29559546 0.92 KMT2A (0.48) POLBKMT2ANPSR1ALDH1A1CASP2
SCHEMBL22897585 0.88 ALDH1A1 (0.51) POLBKMT2ANPSR1ALDH1A1CASP2
SCHEMBL22897703 0.82 ALDH1A1 (0.57) KMT2AALDH1A1KDM4ENPC1MITF
SCHEMBL29559398 0.82 ALDH1A1 (0.57) KMT2AALDH1A1KDM4ENPC1MITF
SCHEMBL22897588 0.80 KDM4E (0.55) POLBMTNR1AALDH1A1KDM4ENPC1
SCHEMBL30021051 0.77 TDP1 (0.61) POLBKMT2ANPSR1ALDH1A1CASP2
SCHEMBL22173613 0.77 POLB (0.54) POLBKMT2ANPSR1ALDH1A1KDM4E
SCHEMBL3757797 0.77 KMT2A (0.73) POLBKMT2ANPSR1ALDH1A1KDM4E
SCHEMBL30810512 0.77 POLB (0.54) POLBKMT2ANPSR1ALDH1A1KDM4E

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 POLB 3989/4885MTNR1A 1703/4885MTNR1B 1736/4885

“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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