SCHEMBL5146637

SCHEMBL5146637

Cc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)C(C)(C)C)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TAS1R3 Q7RTX0 4/20 0.39
TAS1R1 Q7RTX1 4/20 0.39
TAS1R2 Q8TE23 4/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 2/20 0.35
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
GAA P10253 1/20 0.34
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 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
SCHEMBL6470322 0.80 HPGD (0.38) KDM4EL3MBTL1TAS1R3TAS1R1TAS1R2
SCHEMBL15638137 0.79 L3MBTL1 (0.39) KDM4EL3MBTL1TAS1R3TAS1R1TAS1R2
SCHEMBL3195966 0.79 TAS1R3 (0.43) KDM4EL3MBTL1TAS1R3TAS1R1TAS1R2
SCHEMBL1036121 0.77 KDM4E (0.39) KDM4EL3MBTL1TAS1R3TAS1R1TAS1R2
SCHEMBL8398622 0.77 TAS1R3 (0.42) KDM4EL3MBTL1TAS1R3TAS1R1TAS1R2
SCHEMBL69538 0.77 TAS1R3 (0.42) KDM4EL3MBTL1TAS1R3TAS1R1TAS1R2
SCHEMBL28106244 0.77 TAS1R3 (0.42) KDM4EL3MBTL1TAS1R3TAS1R1TAS1R2
SCHEMBL15822585 0.77 TAS1R3 (0.42) KDM4EL3MBTL1TAS1R3TAS1R1TAS1R2
SCHEMBL5995517 0.75 L3MBTL1 (0.39) KDM4EL3MBTL1TAS1R3TAS1R1TAS1R2
Hydrochloric Acid SCHEMBL15823754 0.75 TAS1R3 (0.41) KDM4EL3MBTL1TAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214830-B2 Process for the preparation of acylphosphines, acyl oxides and acyl sulfides CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-05-08 US disclosed
US-7094931-B2 Process for the preparation of acylphosphines, acyl oxides and acyl sulfides CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-08-22 US disclosed
EP-1135399-B2 PROCESS FOR PREPARING ACYLPHOSPHINES AND DERIVATIVES CIBA SC HOLDING AG (CH) 2006-08-09 EP disclosed
US-20060128959-A1 Process for the preparation of acylphosphines, acyl oxides and acyl sulfides IGM GROUP B.V. (NL) 2006-06-15 US disclosed
US-20050096406-A1 Reactive diluents and alkyd resin coating compositions PRETOT ROGER (CH) 2005-05-05 US disclosed
US-6888031-B1 Process for the preparation of acylphosphines, acyl oxides and acyl sulfides CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-05-03 US disclosed
US-20040248855-A1 Process for the preparation of acylphosphines, acyl oxides and acyl sulfides IGM GROUP B.V. (NL) 2004-12-09 US disclosed
EP-1135399-B1 PROCESS FOR PREPARING ACYLPHOSPHINES AND DERIVATIVES CIBA SC HOLDING AG (CH) 2002-08-07 EP disclosed
US-5534559-A UNSATURATED POLYESTERS CIBA-GEIGY CORPORATION (US) 1996-07-09 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 (2 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-20060128959-A1 Process for the preparation of acylphosphines, acyl oxides and acyl sulfides AGPS, PHOSPHO1, AGPAT2 KDM4E 2976/4885L3MBTL1 2313/4885TAS1R3 4418/4885
US-20040248855-A1 Process for the preparation of acylphosphines, acyl oxides and acyl sulfides AGPS, PHOSPHO1, AGPAT2 KDM4E 3169/4885L3MBTL1 2341/4885TAS1R3 4333/4885

“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.