SCHEMBL24984357

SCHEMBL24984357

COC(=O)c1nc(-c2ccc(C(F)(F)F)cc2Cl)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 3/20 0.45
▸ MAPT P10636 4/20 0.45
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ PTGDR2 Q9Y5Y4 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CTSA P10619 2/20 0.41
▸ CFTR P13569 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 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
SCHEMBL22366910 0.89 NPSR1 (0.45) MRGPRX4MAPTCYP1A2CYP2C19NPSR1
SCHEMBL30185174 0.89 NPSR1 (0.45) MRGPRX4MAPTCYP1A2CYP2C19NPSR1
SCHEMBL24985309 0.88 NPSR1 (0.44) MRGPRX4NPSR1PTGDR2CFTRAGPAT2
SCHEMBL24985506 0.87 MRGPRX4 (0.43) MRGPRX4MAPTCYP1A2CYP2C19NPSR1
SCHEMBL24987861 0.87 NPSR1 (0.43) MRGPRX4MAPTNPSR1PTGDR2CFTR
SCHEMBL22366843 0.87 NPSR1 (0.43) MRGPRX4NPSR1MEN1ALDH1A1KMT2A
SCHEMBL30185251 0.87 NPSR1 (0.43) MRGPRX4NPSR1MEN1ALDH1A1KMT2A
SCHEMBL30185313 0.87 NPSR1 (0.43) MRGPRX4MAPTNPSR1PTGDR2CFTR
SCHEMBL24985021 0.86 NPSR1 (0.42) MRGPRX4MAPTNPSR1PTGDR2CFTR
SCHEMBL24985500 0.86 MAPT (0.47) MRGPRX4MAPTCYP1A2CYP2C19NPSR1

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 MRGPRX4 1870/4885MAPT 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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