SCHEMBL7000447

SCHEMBL7000447

Cc1cc2cc3c(C)c(CN4C(=O)c5ccccc5C4=O)c(=O)oc3c(C)c2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAOA P21397 1/20 0.44
HTR2C P28335 1/20 0.44
ADORA2A P29274 1/20 0.44
MAPT P10636 3/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TNF P01375 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
PABPC1 P11940 1/20 0.36
ALOX15 P16050 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL6994888 0.77 SHBG (0.62) KDM4EMAPK1ALDH1A1MAPTHSD17B10
SCHEMBL10588182 0.76 ALDH1A1 (0.54) KDM4EMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL756454 0.76 ALDH1A1 (0.54) KDM4EMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL7989481 0.76 KDM4E (0.54) KDM4EMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL11408643 0.75 ALDH1A1 (0.52) KDM4EMAPK1ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6991180 0.75 ALDH1A1 (0.52) KDM4EMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL7632180 0.74 ALDH1A1 (0.51) KDM4EMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL5011938 0.73 ALDH1A1 (0.65) KDM4EMAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL6996781 0.73 MAPT (0.44) KDM4EMAPK1ALDH1A1MAPTRECQL
SCHEMBL6991273 0.73 MAPT (0.59) KDM4EALDH1A1MAOAMAPTLMNA

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 3035/4885MAPK1 3918/4885ALDH1A1 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.