SCHEMBL19042127

SCHEMBL19042127

C=C(NC(=O)c1ccccc1)Nc1cc(Cl)ccc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.50
▸ KCNMA1 Q12791 1/20 0.49
▸ LMNA P02545 4/20 0.45
▸ GAA P10253 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ LPAR1 Q92633 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL16040232 0.85 EPHX1 (0.70) EPHX1KMT2AMEN1POLBNPC1
SCHEMBL19442655 0.83 LPAR1 (0.48) HTTKMT2ALPAR1MEN1NPC1
SCHEMBL11514071 0.75 EPHX1 (0.67) EPHX1KMT2AMEN1NPC1ALDH1A1
SCHEMBL19042153 0.72 LPAR1 (0.41) LMNAGAAHTTKMT2ALPAR1
SCHEMBL14576535 0.71 EPHX1 (0.62) EPHX1LMNAGAAPOLBNPC1
SCHEMBL30827451 0.71 EPHX1 (0.62) EPHX1LMNAGAAPOLBNPC1
SCHEMBL15149738 0.71 SERPINE1 (0.53) EPHX1LMNAGAAKMT2AMEN1
SCHEMBL14577416 0.70 EPHX1 (0.54) EPHX1HTTKMT2AMEN1POLB
SCHEMBL17536226 0.70 SMN1; SMN2 (0.54) LMNAGAAHTTKMT2ALPAR1
SCHEMBL9125204 0.69 ALDH1A1 (0.57) EPHX1GAAKMT2AMEN1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044332-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC 2018-02-15 — — US disclosed
US-9834547-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2017-12-05 — — US disclosed
US-20170183335-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC 2017-06-29 — — 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 (2 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-20170183335-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD EPHX1 324/4885KCNMA1 621/4885LMNA 3816/4885
US-20180044332-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD EPHX1 324/4885KCNMA1 621/4885LMNA 3816/4885

“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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