SCHEMBL6907962

SCHEMBL6907962

Cc1cc(C)c(C(=O)CC(=O)C(Cl)(Cl)Cl)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ LMNA P02545 4/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TAS1R3 Q7RTX0 2/20 0.37
▸ TAS1R1 Q7RTX1 2/20 0.37
▸ TAS1R2 Q8TE23 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL1698306 0.83 L3MBTL1 (0.44) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL11053483 0.82 MEN1 (0.51) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL18535093 0.76 L3MBTL1 (0.43) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL4320007 0.76 ALDH1A1 (0.45) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL6908084 0.76 MEN1 (0.44) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL11213326 0.74 KDM4E (0.41) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL9064055 0.74 ALDH1A1 (0.46) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL11601893 0.73 L3MBTL1 (0.42) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL6905835 0.72 ALDH1A1 (0.41) MEN1KMT2AALDH1A1GAAMAPT
Phosphine SCHEMBL28030392 0.72 ALDH1A1 (0.41) MEN1KMT2AALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030013896-A1 Pyrone derivatives and method for producing same LONZA AG (CH) 2003-01-16 — — US claimed
US-6716999-B2 REACTING 4-HALOACETOACETYL HALIDE IN A SOLVENT AND SCANDIUM TRIFLUOROMETHANESULFONATE (A LEWIS ACID) AND THEN HYDROLYZED TO FORM PYRONE DERIVATIVE LONZA AG (CH) 2004-04-06 — — US disclosed
US-20030013896-A1 Pyrone derivatives and method for producing same LONZA AG (CH) 2003-01-16 — — US disclosed
EP-1254138-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE Novartis AG (CH) 2002-11-06 — — EP disclosed
EP-1235821-A2 PYRONE DERIVATIVES AND A METHOD FOR PRODUCING SAME Lonza AG (CH) 2002-09-04 — — EP disclosed
WO-2001058899-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2001-08-16 — — WO disclosed
WO-2001040212-A2 PYRONE DERIVATIVES AND A METHOD FOR PRODUCING SAME LONZA AG (CH) 2001-06-07 — — 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-20030013896-A1 Pyrone derivatives and method for producing same XDH, AMY1A, CA1 MEN1 293/4885KMT2A 1155/4885ALDH1A1 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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