SCHEMBL5144083

SCHEMBL5144083

COc1cccc(OC)c1C(=O)P(=S)(C(=O)c1c(OC)cccc1OC)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
TAAR1 Q96RJ0 1/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL274971 0.87 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL7862158 0.81 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL247258 0.81 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL68471 0.81 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL8668470 0.80 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL68740 0.80 CA12 (0.55) CA12CA1CA2CA7CA9
Phosphine SCHEMBL28206448 0.80 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL2703815 0.80 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL16791385 0.80 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL7189385 0.80 CA12 (0.50) CA12CA1CA2CA7CA9

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-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-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

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 CA12 1592/4885CA1 1067/4885CA2 790/4885
US-20040248855-A1 Process for the preparation of acylphosphines, acyl oxides and acyl sulfides AGPS, PHOSPHO1, AGPAT2 CA12 1283/4885CA1 794/4885CA2 598/4885

“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.