SCHEMBL30185107

SCHEMBL30185107

CCOc1cc(C(F)(F)F)ccc1-c1nc(C(=O)OC)c(Cl)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 3/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ MRGPRX4 Q96LA9 4/20 0.42
▸ CRHR1 P34998 3/20 0.41
▸ PDE5A O76074 2/20 0.40
▸ PDE6D O43924 1/20 0.40
▸ PDE6A P16499 1/20 0.40
▸ PDE6G P18545 1/20 0.40
▸ PDE6B P35913 1/20 0.40
▸ PDE6C P51160 1/20 0.40
▸ PDE6H Q13956 1/20 0.40
▸ SCN9A Q15858 4/20 0.40
▸ CETP P11597 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL24984492 1.00 CTSA (0.43) CTSACYP1A2CYP2C19CYP2C9MRGPRX4
SCHEMBL24985107 0.91 CRHR1 (0.44) CTSACYP1A2CYP2C19CYP2C9CRHR1
SCHEMBL30185197 0.91 CRHR1 (0.44) CTSACYP1A2CYP2C19CYP2C9CRHR1
SCHEMBL24984549 0.86 CTSA (0.47) CTSACYP1A2CYP2C19CYP2C9MRGPRX4
SCHEMBL22366934 0.86 NPSR1 (0.43) CTSACYP1A2CYP2C19CYP2C9MRGPRX4
SCHEMBL30185153 0.86 MCL1 (0.41) CTSACYP1A2CYP2C19CYP2C9MRGPRX4
SCHEMBL30185243 0.86 CTSA (0.47) CTSACYP1A2CYP2C19CYP2C9MRGPRX4
SCHEMBL24985580 0.86 MCL1 (0.41) CTSACYP1A2CYP2C19CYP2C9MRGPRX4
SCHEMBL30185257 0.86 NPSR1 (0.43) CTSACYP1A2CYP2C19CYP2C9MRGPRX4
SCHEMBL24985646 0.81 CTSA (0.44) CTSACYP1A2CYP2C19CYP2C9CRHR1

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 CTSA 4611/4885CYP1A2 298/4885CYP2C19 404/4885

“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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