SCHEMBL6993082

SCHEMBL6993082

CC(=O)C(C)Oc1ccc2c(CN3C(=O)c4ccccc4C3=O)cc(=O)oc2c1C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.57
HPGD P15428 6/20 0.57
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 6/20 0.56
MEN1 O00255 3/20 0.56
MAPK1 P28482 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
RCE1 Q9Y256 1/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
PSMD14 O00487 1/20 0.42
MMP2 P08253 1/20 0.42
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6999527 0.85 MAPT (0.58) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL7636599 0.84 HSD17B10 (0.53) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL6993185 0.83 KDM4E (0.52) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL7002316 0.80 KDM4E (0.58) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL6996195 0.70 ALDH1A1 (0.60) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL6991273 0.70 MAPT (0.59) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL7000666 0.68 ALDH1A1 (0.63) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL6993944 0.67 ALDH1A1 (0.62) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL6995631 0.67 HSD17B3 (0.60) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL7002755 0.66 KDM4E (0.58) KDM4EHPGDALDH1A1KMT2AMEN1

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 KDM4E 3035/4885HPGD 1063/4885ALDH1A1 1468/4885

“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.