SCHEMBL30185102

SCHEMBL30185102

COC(=O)c1nc(-c2ccc(OC(F)F)cc2F)c(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.42
▸ CRHR1 P34998 3/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KIT P10721 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ P2RX7 Q99572 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PRKAB2 O43741 2/20 0.36
▸ PRKAG1 P54619 2/20 0.36
▸ PRKAA2 P54646 2/20 0.36
▸ PRKAA1 Q13131 2/20 0.36
▸ PRKAG3 Q9UGI9 2/20 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
SCHEMBL24984519 1.00 PTGES (0.42) PTGESCRHR1RAB9ANPC1MAPT
SCHEMBL24984517 0.93 CRHR1 (0.48) PTGESCRHR1RAB9ANPC1MAPT
SCHEMBL30185106 0.93 CRHR1 (0.48) PTGESCRHR1RAB9ANPC1MAPT
SCHEMBL24985128 0.91 SMN1; SMN2 (0.46) PTGESCRHR1RAB9ANPC1MAPT
SCHEMBL30185210 0.88 FFAR4 (0.45) PTGESCRHR1KITP2RX7PRKAB2
SCHEMBL24985102 0.88 FFAR4 (0.45) PTGESCRHR1KITP2RX7PRKAB2
SCHEMBL30185318 0.87 MAPT (0.43) PTGESCRHR1RAB9ANPC1MAPT
SCHEMBL24985641 0.87 MAPT (0.43) PTGESCRHR1RAB9ANPC1MAPT
SCHEMBL24985231 0.84 PTGS1 (0.36) PTGESSMN1; SMN2KITPRKAB2PRKAG1
SCHEMBL24984524 0.83 ESR1 (0.39) RAB9ASMN1; SMN2ALDH1A1CTSA

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 PTGES 1890/4885CRHR1 4125/4885RAB9A 3865/4885

“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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