SCHEMBL6397140

SCHEMBL6397140

COc1cc(OC)c(C(=O)C(C)[P](=O)C(=O)c2c(C)cc(C)cc2C)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABCG2 Q9UNQ0 6/20 0.40
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
ADRA2C P18825 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 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
SCHEMBL5995330 0.95 CYP3A4 (0.40) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL6395993 0.94 ALDH1A1 (0.38) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL5996238 0.88 CYP3A4 (0.38) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL5997937 0.88 ABCG2 (0.45) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL5996056 0.86 ALDH1A1 (0.34) SMN1; SMN2KMT2AMAPTMEN1LMNA
SCHEMBL5996726 0.85 TAS1R3 (0.38) CYP3A4SMN1; SMN2ABCG2KMT2AMAPT
SCHEMBL5995294 0.85 TP53 (0.44) CYP3A4SMN1; SMN2ABCG2KMT2AHPGD
SCHEMBL5997609 0.83 CYP3A4 (0.38) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL5996392 0.83 ABCG2 (0.45) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL5997093 0.83 CA12 (0.41) CYP3A4KMT2AMAPTKDM4EMEN1

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-6969733-B2 Photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-11-29 US disclosed
US-6737549-B2 PHOTOINITIATORS FOR ACRYLATE COATINGS CIBA SPECIALTY CHEMICALS CORPORATION 2004-05-18 US disclosed
US-20030139485-A1 Photoinitiators WOLF JEAN-PIERRE (CH) 2003-07-24 US disclosed
US-20020026049-A1 Photoinitiators for acrylate coatings CIBA SPECIALTY CHEMICALS CORP. 2002-02-28 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-20030139485-A1 Photoinitiators DHCR24, NR1I3, CBR1 CYP3A4 432/4885USP2 4345/4885MAPK1 1788/4885
US-20020026049-A1 Photoinitiators for acrylate coatings DHCR24, NR5A1, NR2C2 CYP3A4 946/4885USP2 3795/4885MAPK1 1524/4885

“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.