SCHEMBL22897660

SCHEMBL22897660

CCCOc1ccc(C)cc1NC(=O)CCl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ HTT P42858 3/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ MITF O75030 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ GAA P10253 3/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MAPT P10636 4/20 0.47
▸ TSHR P16473 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CREBBP Q92793 1/20 0.44

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
SCHEMBL29560833 1.00 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2RAB9AHTTMAPK1
SCHEMBL18579193 0.89 RAB9A (0.72) ALDH1A1SMN1; SMN2RAB9AHTTMAPK1
SCHEMBL29560078 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2RAB9AHTTMAPK1
SCHEMBL22897499 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2RAB9AHTTMAPK1
SCHEMBL22897498 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2RAB9AHTTMAPK1
SCHEMBL22897568 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9AHTTMAPK1
SCHEMBL29559909 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9AHTTMAPK1
SCHEMBL10684407 0.82 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2HTTGAATDP1
SCHEMBL18579435 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2RAB9AHTTMAPK1
SCHEMBL18579731 0.80 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2RAB9AHTTMAPK1

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 ALDH1A1 150/4885SMN1; SMN2 2662/4885RAB9A 302/4885

“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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