SCHEMBL6993185

SCHEMBL6993185

CC(=O)C(C)Oc1ccc2c(C)cc(=O)oc2c1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
KMT2A Q03164 10/20 0.46
ALDH1A1 P00352 7/20 0.46
GAA P10253 5/20 0.46
HPGD P15428 5/20 0.46
MEN1 O00255 4/20 0.46
LMNA P02545 4/20 0.46
MAPT P10636 6/20 0.44
GLA P06280 3/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPK1 P28482 2/20 0.44
PAX8 Q06710 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
MCL1 Q07820 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL6993082 0.83 KDM4E (0.57) KDM4EKMT2AALDH1A1GAAHPGD
SCHEMBL7002755 0.80 KDM4E (0.58) KDM4EKMT2AALDH1A1GAAHPGD
SCHEMBL7636599 0.79 HSD17B10 (0.53) KDM4EKMT2AALDH1A1HPGDMEN1
SCHEMBL6996833 0.79 ERAP1 (0.63) KDM4EKMT2AALDH1A1GAAHPGD
SCHEMBL6999527 0.70 MAPT (0.58) KDM4EKMT2AALDH1A1GAAHPGD
SCHEMBL11310023 0.70 MAPT (0.42) KDM4EKMT2AALDH1A1GAAHPGD
SCHEMBL4958027 0.69 KCNA3 (0.46) KDM4EKMT2AALDH1A1GAAHPGD
SCHEMBL8876199 0.68 KCNA3 (0.47) KDM4EKMT2AALDH1A1GAAHPGD
SCHEMBL6991273 0.67 MAPT (0.59) KDM4EKMT2AALDH1A1HPGDMEN1
SCHEMBL14756285 0.66 KDM4E (0.62) KDM4EKMT2AALDH1A1GAAHPGD

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 3035/4885KMT2A 2413/4885ALDH1A1 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.