SCHEMBL6995853

SCHEMBL6995853

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.68
KDM4E B2RXH2 11/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 9/20 0.59
HSD17B10 Q99714 7/20 0.59
HPGD P15428 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
TP53 P04637 2/20 0.54
MAPT P10636 2/20 0.54
TSHR P16473 2/20 0.53
LMNA P02545 2/20 0.52
POLB P06746 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 2/20 0.52
GLA P06280 2/20 0.52
MAOA P21397 3/20 0.51
MAOB P27338 3/20 0.51
MEN1 O00255 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL6996694 0.84 GBA1 (0.57) GBA1KDM4EKMT2AALDH1A1HSD17B10
SCHEMBL6993105 0.81 KDM4E (0.73) GBA1KDM4EKMT2AALDH1A1HSD17B10
SCHEMBL8361989 0.80 KDM4E (0.56) GBA1KDM4EKMT2AALDH1A1HSD17B10
SCHEMBL29528063 0.80 SHBG (0.67) GBA1KDM4EKMT2AALDH1A1HSD17B10
SCHEMBL13021649 0.78 GBA1 (0.54) GBA1KDM4EKMT2AALDH1A1HSD17B10
SCHEMBL9257727 0.78 GBA1 (0.57) GBA1KDM4EKMT2AALDH1A1HSD17B10
SCHEMBL6999092 0.77 PON1 (0.64) GBA1KDM4EKMT2AALDH1A1HSD17B10
SCHEMBL6589320 0.76 KDM4E (0.63) KDM4EKMT2AALDH1A1HSD17B10HPGD
SCHEMBL6991273 0.76 MAPT (0.59) GBA1KDM4EKMT2AALDH1A1HSD17B10
SCHEMBL12723861 0.75 ACHE (0.57) GBA1KDM4EALDH1A1HSD17B10HPGD

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 GBA1 1731/4885KDM4E 3035/4885KMT2A 2413/4885

“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.