SCHEMBL7002189

SCHEMBL7002189

Cc1coc2c(C)c3oc(=O)c(COCCOS(C)(=O)=O)c(C)c3cc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 9/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 2/20 0.45
GFER P55789 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.42
BLM P54132 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL6997878 0.84 POLB (0.50) POLBMAPTKMT2ATSHRKDM4E
SCHEMBL6996793 0.84 POLB (0.53) POLBMAPTKMT2ATSHRKDM4E
Hydrochloric Acid SCHEMBL6996187 0.83 POLB (0.49) POLBMAPTKMT2ATSHRKDM4E
SCHEMBL9100323 0.80 KDM4E (0.41) POLBMAPTKMT2AKDM4EALDH1A1
SCHEMBL6988651 0.80 HSD17B10 (0.55) POLBMAPTKMT2ATSHRKDM4E
SCHEMBL8194814 0.76 TSHR (0.58) POLBMAPTKMT2ATSHRKDM4E
SCHEMBL7093976 0.76 MAOA (0.41) MAPTKMT2ATSHRKDM4EALDH1A1
SCHEMBL7001826 0.75 TSHR (0.57) POLBMAPTKMT2ATSHRKDM4E
SCHEMBL6999190 0.75 TSHR (0.57) POLBMAPTKMT2ATSHRKDM4E
SCHEMBL4374604 0.75 MAOA (0.40) MAPTKMT2ATSHRKDM4EALDH1A1

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 POLB 39/4885MAPT 2933/4885KMT2A 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.