SCHEMBL24984524

SCHEMBL24984524

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.39
▸ ESR2 Q92731 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ DHODH Q02127 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CA14 Q9ULX7 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ ALPL P05186 2/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ CTSA P10619 1/20 0.36
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL30185221 0.86 KIT (0.42) ALDH1A1KDM4ESMN1; SMN2HSD17B10ALPL
SCHEMBL22366798 0.86 ALDH1A1 (0.38) ALDH1A1KDM4ESMN1; SMN2HSD17B10CNR1
SCHEMBL22366962 0.86 KIT (0.42) ALDH1A1KDM4ESMN1; SMN2HSD17B10ALPL
SCHEMBL30185243 0.84 CTSA (0.47) CTSA
SCHEMBL24985261 0.84 PTGS2 (0.41) ALDH1A1KDM4E
SCHEMBL24984549 0.84 CTSA (0.47) CTSA
SCHEMBL30185266 0.84 PTGS2 (0.41) ALDH1A1KDM4E
SCHEMBL24985102 0.83 FFAR4 (0.45) ALDH1A1
SCHEMBL24986693 0.83 CTSA (0.48) ALDH1A1KDM4ESMN1; SMN2HSD17B10ALPL
SCHEMBL24984519 0.83 PTGES (0.42) ALDH1A1SMN1; SMN2CTSARAB9A

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 ESR1 2912/4885ESR2 3301/4885ALDH1A1 123/4885

“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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