SCHEMBL6991771

SCHEMBL6991771

CC(=O)Oc1ccc2c(C)cc(=O)oc2c1CBr

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.62
GAA P10253 9/20 0.62
ALDH1A1 P00352 9/20 0.62
KMT2A Q03164 7/20 0.62
MAPT P10636 6/20 0.62
HPGD P15428 6/20 0.62
HSD17B10 Q99714 6/20 0.62
GLA P06280 6/20 0.62
CASP1 P29466 3/20 0.62
CASP7 P55210 3/20 0.62
LMNA P02545 2/20 0.55
MAPK1 P28482 1/20 0.55
HSP90AA1 P07900 1/20 0.52
HSP90AB1 P08238 1/20 0.52
ALPG P10696 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MCL1 Q07820 1/20 0.51
PAX8 Q06710 1/20 0.51

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
SCHEMBL11066632 0.86 KDM4E (0.61) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL11382092 0.86 KDM4E (0.56) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL11384270 0.84 SRD5A1 (0.67) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL6993105 0.82 KDM4E (0.73) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL3052874 0.81 KDM4E (0.68) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL27079801 0.81 KDM4E (0.79) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL14756285 0.75 KDM4E (0.62) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL6996694 0.74 GBA1 (0.57) KDM4EALDH1A1KMT2AMAPTHPGD
SCHEMBL29749623 0.73 MAOA (0.72) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL7917900 0.71 KDM4E (0.68) KDM4EGAAALDH1A1KMT2AMAPT

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 3035/4885GAA 1159/4885ALDH1A1 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.