SCHEMBL1037229

SCHEMBL1037229

COc1cccc(OC)c1C(=O)P(CC(=O)OC(C)(C)C)C(=O)c1c(OC)cccc1OC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
MTNR1A P48039 5/20 0.40
MTNR1B P49286 5/20 0.40
DRD2 P14416 1/20 0.38
POLB P06746 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
PPARA Q07869 1/20 0.36
STING1 Q86WV6 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL1035849 0.86 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL1035839 0.81 TSHR (0.48) CA12CA1CA2CA7CA9
SCHEMBL691920 0.80 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL11127999 0.74 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL16250620 0.73 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL12956432 0.73 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL13446917 0.73 CYP4F2 (0.44) CA12CA1CA2CA7CA9
SCHEMBL13412090 0.73 KDM4E (0.41) MTNR1AMTNR1BPOLBSMN1; SMN2TSHR
SCHEMBL14655799 0.73 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL13412092 0.72 CA12 (0.44) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814891-B1 BISACYLPHOSPHANES AND THEIR USE AS PHOTOINITIATORS; PROCESS FOR PREPARING ACYLPHOSPHANES BASF SE (DE) 2011-01-26 EP disclosed
EP-1814891-B1 BISACYLPHOSPHANES AND THEIR USE AS PHOTOINITIATORS; PROCESS FOR PREPARING ACYLPHOSPHANES BASF SE (DE) 2011-01-26 EP disclosed
US-7687657-B2 Process for preparing acylphosphanes and derivatives thereof CIBA SPECIALITY CHEMICALS CORPORATION (US) 2010-03-30 US disclosed
US-7687657-B2 Process for preparing acylphosphanes and derivatives thereof CIBA SPECIALITY CHEMICALS CORPORATION (US) 2010-03-30 US disclosed
US-7687657-B2 Process for preparing acylphosphanes and derivatives thereof CIBA SPECIALITY CHEMICALS CORPORATION (US) 2010-03-30 US disclosed
US-20080004464-A1 Process for Preparing Acylphosphanes and Derivatives Thereof IGM GROUP B.V. (NL) 2008-01-03 US disclosed
US-20080004464-A1 Process for Preparing Acylphosphanes and Derivatives Thereof IGM GROUP B.V. (NL) 2008-01-03 US disclosed
US-20080004464-A1 Process for Preparing Acylphosphanes and Derivatives Thereof IGM GROUP B.V. (NL) 2008-01-03 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 (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-20080004464-A1 Process for Preparing Acylphosphanes and Derivatives Thereof ME2, ME3, MEP1A CA12 1566/4885CA1 2534/4885CA2 1263/4885

“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.