SCHEMBL7002316

SCHEMBL7002316

Cc1c(O)ccc2c(CN3C(=O)c4ccccc4C3=O)cc(=O)oc12

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
P4HB P07237 2/20 0.58
ALDH1A1 P00352 2/20 0.58
GLA P06280 2/20 0.58
HPGD P15428 2/20 0.58
GAA P10253 1/20 0.58
CA12 O43570 8/20 0.56
CA9 Q16790 8/20 0.56
TNF P01375 1/20 0.56
NOD2 Q9HC29 1/20 0.56
NOD1 Q9Y239 1/20 0.56
KMT2A Q03164 4/20 0.56
MAOB P27338 1/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 2/20 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
SCHEMBL6999527 0.83 MAPT (0.58) KDM4EALDH1A1GLAHPGDGAA
SCHEMBL6993082 0.80 KDM4E (0.57) KDM4EALDH1A1GLAHPGDGAA
SCHEMBL6994888 0.79 SHBG (0.62) KDM4EALDH1A1GLAHPGDGAA
SCHEMBL6996833 0.78 ERAP1 (0.63) KDM4EALDH1A1GLAHPGDGAA
SCHEMBL876286 0.76 MCL1 (0.73) KDM4EP4HBALDH1A1GLAHPGD
SCHEMBL6995631 0.76 HSD17B3 (0.60) KDM4EALDH1A1GLAGAACA12
SCHEMBL15984890 0.75 KDM4E (0.64) KDM4EP4HBALDH1A1GLAHPGD
SCHEMBL7000517 0.74 KDM4E (0.70) KDM4EP4HBALDH1A1GLAHPGD
SCHEMBL876290 0.73 KDM4E (0.64) KDM4EP4HBALDH1A1GLAHPGD
SCHEMBL18073979 0.72 CA12 (1.00) KDM4EALDH1A1HPGDCA12CA9

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 3035/4885P4HB 1826/4885ALDH1A1 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.