SCHEMBL6908084

SCHEMBL6908084

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TAS1R3 Q7RTX0 2/20 0.41
▸ TAS1R1 Q7RTX1 2/20 0.41
▸ TAS1R2 Q8TE23 2/20 0.41
▸ GAA P10253 2/20 0.40
▸ LMNA P02545 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL9064055 0.84 ALDH1A1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL11053483 0.83 MEN1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL6905835 0.81 ALDH1A1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL4320007 0.78 ALDH1A1 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL10617970 0.78 POLB (0.40) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL6907962 0.76 MEN1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL18535093 0.74 L3MBTL1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL1698306 0.73 L3MBTL1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2HTT
Phosphine SCHEMBL28030392 0.73 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL11210247 0.73 MEN1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2MAPT

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-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-1235821-A2 PYRONE DERIVATIVES AND A METHOD FOR PRODUCING SAME Lonza AG (CH) 2002-09-04 — — EP 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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