SCHEMBL13041578

SCHEMBL13041578

CCc1sc(-c2ccc(Cl)cc2)nc1C1=C(OC(=O)Oc2ccccc2)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 11/20 0.45
▸ KDM4E B2RXH2 3/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ ALOX5 P09917 2/20 0.36
▸ RORC P51449 1/20 0.36
▸ ATP4A P20648 1/20 0.35
▸ ATP4B P51164 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
SCHEMBL13041570 0.89 PTGDR2 (0.43) PTGDR2KDM4ECYP2C9ALDH1A1CYP1A2
SCHEMBL13041575 0.85 PTGDR2 (0.43) PTGDR2KDM4ECYP2C9ALDH1A1CYP1A2
SCHEMBL2762868 0.85 PTGDR2 (0.39) PTGDR2KDM4ECYP2C9ALDH1A1CYP1A2
SCHEMBL13077939 0.84 PTGDR2 (0.39) PTGDR2KDM4ECYP2C9ALDH1A1CYP1A2
SCHEMBL13041580 0.84 PTGDR2 (0.42) PTGDR2KDM4ECYP2C9ALDH1A1CYP1A2
SCHEMBL13041571 0.81 PTGDR2 (0.37) PTGDR2KDM4ECYP2C9ALDH1A1CYP1A2
SCHEMBL13041557 0.71 PTGDR2 (0.40) PTGDR2KDM4ECYP2C9ALDH1A1CYP1A2
SCHEMBL13078057 0.71 PTGDR2 (0.39) PTGDR2KDM4ECYP2C9ALDH1A1CYP1A2
SCHEMBL13078148 0.71 PTGDR2 (0.42) PTGDR2KDM4ECYP2C9ALDH1A1CYP1A2
SCHEMBL13041568 0.69 RAB9A (0.48) KDM4ECYP2C9ALDH1A1CYP1A2HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8956999-B2 Herbicides SYNGENTA LIMITED (GB) 2015-02-17 — — US disclosed
US-8956999-B2 Herbicides SYNGENTA LIMITED (GB) 2015-02-17 — — US disclosed
US-20100279868-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — US disclosed
US-20100279868-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — 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-20100279868-A1 NOVEL HERBICIDES DDT, HPD, HSD17B1 PTGDR2 865/4885KDM4E 2452/4885CYP2C9 143/4885

“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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