SCHEMBL22897752

SCHEMBL22897752

COC(c1ccc(C)cc1N)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SLC6A2 P23975 2/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ NPSR1 Q6W5P4 3/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31

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
SCHEMBL29560011 1.00 ALDH1A1 (0.43) ALDH1A1CYP3A4TDP1SMN1; SMN2ALOX15
SCHEMBL21773895 0.81 APLNR (0.38) BACE1
SCHEMBL26197642 0.79 L3MBTL1 (0.33) ALDH1A1TDP1SMN1; SMN2KDM4ENPC1
SCHEMBL18579593 0.74 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1SMN1; SMN2ALOX15
SCHEMBL28429459 0.74 SMN1; SMN2 (0.42) ALDH1A1CYP3A4TDP1SMN1; SMN2ALOX15
SCHEMBL22897635 0.73 TSHR (0.49) ALDH1A1CYP3A4SMN1; SMN2KDM4ELMNA
SCHEMBL5550929 0.71 TDP1 (0.56) ALDH1A1CYP3A4TDP1SMN1; SMN2ALOX15
SCHEMBL26197640 0.70 CSF1R (0.31) —
SCHEMBL22897735 0.70 ALDH1A1 (0.44) ALDH1A1CYP3A4TDP1SMN1; SMN2ALOX15
SCHEMBL12282035 0.70 CHRNA7 (0.37) TDP1CA1NPSR1L3MBTL1GAA

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 4 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
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 150/4885CYP3A4 592/4885TDP1 490/4885

“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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