SCHEMBL13078057

SCHEMBL13078057

C=C(C)C(=O)OC1=C(c2nc(-c3ccc(Cl)cc3)sc2CC)C(=O)C(C)(C)C(=O)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 7/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MAPT P10636 4/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ RAB9A P51151 3/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ NFKB1 P19838 1/20 0.33

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
SCHEMBL13077939 0.86 PTGDR2 (0.39) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL13041557 0.86 PTGDR2 (0.40) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL2762868 0.73 PTGDR2 (0.39) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL13041575 0.72 PTGDR2 (0.43) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL13041570 0.71 PTGDR2 (0.43) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL13041578 0.71 PTGDR2 (0.45) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL13041571 0.70 PTGDR2 (0.37) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL13078148 0.69 PTGDR2 (0.42) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL13041580 0.69 PTGDR2 (0.42) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL10238180 0.66 PTGDR2 (0.39) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9

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-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 2452/4885ALDH1A1 36/4885

“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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