SCHEMBL6991857

SCHEMBL6991857

COCc1c(C)c2ccc(OCC(C)=O)c(C)c2oc1=O

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.75
ALDH1A1 P00352 8/20 0.75
HPGD P15428 8/20 0.75
HSD17B10 Q99714 7/20 0.75
SMN1; SMN2 Q16637 4/20 0.75
NPC1 O15118 3/20 0.75
RAB9A P51151 3/20 0.75
TP53 P04637 1/20 0.75
MAOA P21397 3/20 0.65
MAOB P27338 3/20 0.65
TSHR P16473 3/20 0.62
HTT P42858 2/20 0.62
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62
MAPK1 P28482 2/20 0.60
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
STAT3 P40763 2/20 0.57

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 0.79 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL6997503 0.78 SHBG (0.63) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL24045247 0.78 MEN1 (0.69) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL7847385 0.77 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL24045245 0.76 MEN1 (0.69) MEN1KMT2A
SCHEMBL10016549 0.75 ALDH1A1 (1.00) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL24045240 0.72 SLC26A3 (0.69) MEN1KMT2A
SCHEMBL6996694 0.72 GBA1 (0.57) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL10789624 0.71 SHBG (0.48) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL24045244 0.71 MEN1 (0.66) MEN1KMT2A

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 3035/4885ALDH1A1 1468/4885HPGD 1063/4885

“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.