SCHEMBL30185239

SCHEMBL30185239

COc1cc(C(F)(F)F)ccc1-c1ncc(Cl)c(C(=O)O)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ GPBAR1 Q8TDU6 1/20 0.42
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ MRGPRX4 Q96LA9 5/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ TAS1R2 Q8TE23 1/20 0.40
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ CTSA P10619 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL24986659 1.00 LRRK2 (0.45) LRRK2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL22366823 0.90 LRRK2 (0.47) LRRK2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL30185289 0.81 CTSA (0.44) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24985646 0.81 CTSA (0.44) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30185255 0.80 MRGPRX4 (0.46) MAPTMRGPRX4GLAHPGD
SCHEMBL24987866 0.80 MRGPRX4 (0.46) MAPTMRGPRX4GLAHPGD
SCHEMBL24987876 0.80 MRGPRX4 (0.46) LRRK2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL30185149 0.80 MRGPRX4 (0.46) LRRK2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL24986742 0.78 MRGPRX4 (0.42) LRRK2MAPTMRGPRX4ALOX5APFEN1
SCHEMBL24985500 0.72 MAPT (0.47) LRRK2MAPTCYP1A2CYP3A4CYP2C9

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 LRRK2 4604/4885MAPT 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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