SCHEMBL7143392

SCHEMBL7143392

C=CCc1c(O)c2ccccc2oc1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VKORC1 Q9BQB6 7/20 0.71
NQO1 P15559 4/20 0.69
ALDH1A1 P00352 2/20 0.69
LMNA P02545 2/20 0.69
TP53 P04637 2/20 0.69
TSHR P16473 2/20 0.69
MAPK1 P28482 2/20 0.69
MEN1 O00255 1/20 0.69
ABCB11 O95342 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
KMT2A Q03164 1/20 0.69
PDE4D Q08499 1/20 0.69
PCSK7 Q16549 1/20 0.69
GPR35 Q9HC97 1/20 0.69
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 1/20 0.53

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
Dicumarol SCHEMBL29703314 0.82 NQO1 (1.00) VKORC1NQO1ALDH1A1LMNATP53
Dicumarol SCHEMBL7454901 0.82 NQO1 (1.00) VKORC1NQO1ALDH1A1LMNATP53
Dicumarol SCHEMBL33891 0.82 NQO1 (1.00) VKORC1NQO1ALDH1A1LMNATP53
SCHEMBL3988877 0.81 GAA (0.57) VKORC1NQO1ALDH1A1LMNATP53
SCHEMBL5478821 0.81 VKORC1 (0.51) VKORC1NQO1ALDH1A1LMNATP53
Dicumarol SCHEMBL17927706 0.80 NQO1 (0.96) VKORC1NQO1ALDH1A1LMNATP53
SCHEMBL8808528 0.80 VKORC1 (0.64) VKORC1NQO1ALDH1A1LMNATP53
SCHEMBL27448032 0.79 NQO1 (0.71) VKORC1NQO1ALDH1A1LMNATP53
SCHEMBL9526995 0.79 NQO1 (0.75) VKORC1NQO1ALDH1A1LMNATP53
SCHEMBL6589409 0.79 NQO1 (0.75) VKORC1NQO1ALDH1A1LMNATP53

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 VKORC1 216/4885NQO1 113/4885ALDH1A1 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.