SCHEMBL16454743

SCHEMBL16454743

Cc1cc(C(C)(C)C(=O)OC(C)(C)C)ncn1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 3/20 0.35
▸ DGAT1 O75907 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ MAP4K4 O95819 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL17816265 0.85 DGAT1 (0.33) DGAT1MAPTMAP4K4KDM4E
SCHEMBL16454707 0.82 CNR2 (0.43) MAPTALDH1A1GAA
SCHEMBL19191786 0.80 PIK3CD (0.31) DGAT1
SCHEMBL25659603 0.72 GABRG2 (0.43) AAK1
SCHEMBL11981574 0.70 KMT2A (0.31) —
SCHEMBL84119 0.69 KDM4E (0.32) AAK1KDM4EALDH1A1GAA
SCHEMBL31197968 0.69 PRKCI (0.32) MAPTALDH1A1
SCHEMBL19890987 0.69 L3MBTL1 (0.44) AAK1MAP4K4
SCHEMBL28216258 0.68 CYP19A1 (0.36) DGAT1MAPTKDM4EALDH1A1
SCHEMBL27762743 0.68 AAK1 (0.39) AAK1MAP4K4KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030081-B1 PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-08-02 — — EP disclosed
US-20160159781-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 — — US disclosed
WO-2015018431-A1 PYRAZOLYL PYRROLINONES AND THEIR USE AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-02-12 — — WO 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-20160159781-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 AAK1 1174/4885DGAT1 2507/4885MAPT 4454/4885

“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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