SCHEMBL24985107

SCHEMBL24985107

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CTSA P10619 3/20 0.44
▸ SCN9A Q15858 12/20 0.43
▸ SPR P35270 2/20 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
SCHEMBL30185197 1.00 CRHR1 (0.44) CRHR1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL30185243 0.91 CTSA (0.47) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22366934 0.91 NPSR1 (0.43) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24984549 0.91 CTSA (0.47) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24985580 0.91 MCL1 (0.41) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30185153 0.91 MCL1 (0.41) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30185257 0.91 NPSR1 (0.43) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24984492 0.91 CTSA (0.43) CRHR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30185107 0.91 CTSA (0.43) CRHR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24985646 0.90 CTSA (0.44) CRHR1MAPTCYP1A2CYP3A4CYP2C9

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 CRHR1 4125/4885MAPT 3017/4885CYP1A2 298/4885

“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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