SCHEMBL6993944

SCHEMBL6993944

CC(=O)COc1ccc2c(C)c(CN3C(=O)c4ccccc4C3=O)c(=O)oc2c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
KDM4E B2RXH2 7/20 0.62
HPGD P15428 7/20 0.62
HSD17B10 Q99714 6/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
TP53 P04637 1/20 0.62
MAOA P21397 4/20 0.62
MAOB P27338 4/20 0.62
TSHR P16473 3/20 0.53
HTT P42858 3/20 0.53
MAPK1 P28482 2/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
STAT3 P40763 1/20 0.51
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48

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
SCHEMBL6991273 0.88 MAPT (0.59) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL7001821 0.88 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL7636599 0.84 HSD17B10 (0.53) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL7848066 0.80 MAOA (0.47) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL7848347 0.80 MAOA (0.45) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL6994888 0.80 SHBG (0.62) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL6991857 0.79 KDM4E (0.75) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL6999527 0.72 MAPT (0.58) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL24045247 0.72 MEN1 (0.69) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL7000447 0.70 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2

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
EP-1032265-B1 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORP (US) 2003-10-29 EP disclosed
US-20030082510-A1 Psoralens for pathogen inactivation CERUS CORPORATION (US) 2003-05-01 US disclosed
US-6455286-B1 MIXING PSORALEN COMPOUND OF DEFINED STRUCTURE WITH BIOLOGICAL COMPOSITION SUCH AS BLOOD OR PLATELETS, THEN PHOTOACTIVATING COMPOUND TO DEACTIVATE PATHOGEN CERUS CORPORATION 2002-09-24 US disclosed
EP-1032265-A4 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORP (US) 2001-05-30 EP disclosed
US-6133460-A HAVE PRIMARY AMINO SUBSTITUTIONS ON THE 3-, 4-, 5-, AND 8-POSITIONS OF THE PSORALEN WHICH PERMIT BINDING TO NUCLEIC ACID OF PATHOGENS; CONDITIONS THAT PHOTOACTIVATE THESE PSORALENS RESULT IN INACTIVATION OF PATHOGENS WHICH CONTAIN NUCLEIC ACID CERUS CORPORATION (US) 2000-10-17 US disclosed
EP-1032265-A1 NEW PSORALENS FOR PATHOGEN INACTIVATION Cerus Corporation (US) 2000-09-06 EP disclosed
WO-1999026476-A1 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORPORATION (US) 1999-06-03 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-20030082510-A1 Psoralens for pathogen inactivation BPGM, XPA, RAD50 ALDH1A1 1468/4885KDM4E 3035/4885HPGD 1063/4885

“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.