SCHEMBL7140693

SCHEMBL7140693

C=CCc1c(OC)c2ccccc2oc1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.52
CA9 Q16790 2/20 0.52
MAPT P10636 2/20 0.51
CYP2C9 P11712 5/20 0.50
VKORC1 Q9BQB6 4/20 0.48
ABCG2 Q9UNQ0 2/20 0.44
CYP3A4 P08684 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
ABCB11 O95342 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
NQO1 P15559 1/20 0.44
MAPK1 P28482 1/20 0.44
PDE4D Q08499 1/20 0.44
PCSK7 Q16549 1/20 0.44

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
SCHEMBL15842617 0.83 CA12 (0.59) CA12CA9MAPTCYP2C9VKORC1
SCHEMBL5478821 0.81 VKORC1 (0.51) CA12CA9MAPTCYP2C9VKORC1
SCHEMBL14375365 0.79 VKORC1 (0.42) CA12CA9CYP2C9VKORC1CYP3A4
SCHEMBL12501492 0.78 CA12 (0.54) CA12CA9MAPTCYP2C9VKORC1
SCHEMBL3988877 0.78 GAA (0.57) MAPTCYP2C9VKORC1CYP3A4MEN1
SCHEMBL7143392 0.78 VKORC1 (0.71) CYP2C9VKORC1CYP3A4MEN1ALDH1A1
SCHEMBL15873593 0.77 CA12 (0.59) CA12CA9MAPTCYP2C9VKORC1
SCHEMBL831768 0.76 CA12 (0.66) CA12CA9MAPTCYP2C9ABCG2
SCHEMBL29854772 0.76 CA12 (0.66) CA12CA9MAPTCYP2C9ABCG2
SCHEMBL17760847 0.75 CA12 (0.60) CA12CA9MAPTCYP2C9ABCG2

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 CA12 3745/4885CA9 4267/4885MAPT 2933/4885

“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.