SCHEMBL30185287

SCHEMBL30185287

COC(=O)c1nc(-c2ccc(C(F)F)cc2OC)c(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 4/20 0.42
▸ AKR1C2 P52895 4/20 0.42
▸ SCN9A Q15858 3/20 0.41
▸ CNR1 P21554 1/20 0.39
▸ CTSA P10619 8/20 0.39
▸ DGAT1 O75907 1/20 0.38
▸ SOAT1 P35610 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36

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
SCHEMBL24984463 1.00 AKR1C3 (0.42) AKR1C3AKR1C2SCN9ACNR1CTSA
SCHEMBL24985128 0.85 SMN1; SMN2 (0.46) CTSATAS1R3TAS1R1SMN1; SMN2
SCHEMBL30185302 0.83 KDM4E (0.42) CTSADGAT1SOAT1SMN1; SMN2
SCHEMBL24985683 0.83 KDM4E (0.42) CTSADGAT1SOAT1SMN1; SMN2
SCHEMBL24985107 0.82 CRHR1 (0.44) SCN9ACTSA
SCHEMBL30185197 0.82 CRHR1 (0.44) SCN9ACTSA
SCHEMBL30185128 0.81 CTSA (0.45) SCN9ACTSA
SCHEMBL24986581 0.81 CRHR1 (0.47) SCN9ATAS1R3TAS1R1
SCHEMBL24986670 0.81 CTSA (0.45) SCN9ACTSA
SCHEMBL30185245 0.81 CRHR1 (0.47) SCN9ATAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 — — 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 (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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT AKR1C3 1327/4885AKR1C2 1277/4885SCN9A 4482/4885

“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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