SCHEMBL6991273

SCHEMBL6991273

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
POLB P06746 2/20 0.50
GBA1 P04062 1/20 0.49
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
DUSP3 P51452 2/20 0.46
PTPN5 P54829 2/20 0.46
PTPN11 Q06124 2/20 0.46
CTDSP1 Q9GZU7 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TSHR P16473 2/20 0.45

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
SCHEMBL6993944 0.88 ALDH1A1 (0.62) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7636599 0.86 HSD17B10 (0.53) MAPTPOLBKDM4EALDH1A1HPGD
SCHEMBL6999527 0.83 MAPT (0.58) MAPTGBA1KDM4EALDH1A1HPGD
SCHEMBL6994888 0.82 SHBG (0.62) MAPTPOLBKDM4EALDH1A1HPGD
SCHEMBL7001821 0.82 ALDH1A1 (0.51) MAPTPOLBKDM4EALDH1A1HPGD
SCHEMBL29528063 0.79 SHBG (0.67) MAPTPOLBGBA1KDM4EALDH1A1
SCHEMBL6996694 0.78 GBA1 (0.57) MAPTPOLBGBA1KDM4EALDH1A1
SCHEMBL6995853 0.76 GBA1 (0.68) MAPTPOLBGBA1KDM4EALDH1A1
SCHEMBL7000447 0.73 KDM4E (0.44) MAPTPOLBKDM4EALDH1A1HPGD
SCHEMBL7848347 0.72 MAOA (0.45) MAPTPOLBKDM4EALDH1A1HPGD

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 MAPT 2933/4885POLB 39/4885GBA1 1731/4885

“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.