SCHEMBL7143389

SCHEMBL7143389

C=CC(O)c1cc2ccccc2oc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.51
TYR P14679 1/20 0.51
DAO P14920 1/20 0.51
AKR1B1 P15121 1/20 0.51
MAOB P27338 5/20 0.47
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
CA1 P00915 2/20 0.47
CA3 P07451 1/20 0.47
TSHR P16473 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
GPR35 Q9HC97 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 6/20 0.46

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
SCHEMBL1568299 0.82 HPGD (0.59) HPGDTYRDAOAKR1B1MAOB
SCHEMBL9233565 0.81 HPGD (0.47) HPGDTYRDAOAKR1B1MAOB
SCHEMBL7142288 0.81 SMN1; SMN2 (0.51) HPGDTYRDAOAKR1B1MAOB
SCHEMBL19127755 0.79 HPGD (0.56) HPGDTYRDAOAKR1B1MAOB
SCHEMBL28909940 0.78 KDM4E (0.47) HPGDTYRDAOAKR1B1MAOB
SCHEMBL7140688 0.78 ALDH1A1 (0.47) HPGDTYRDAOAKR1B1MAOB
SCHEMBL4121645 0.75 HPGD (0.55) HPGDTYRDAOAKR1B1MAOB
SCHEMBL12456653 0.75 HPGD (0.55) HPGDTYRDAOAKR1B1MAOB
SCHEMBL620973 0.75 HPGD (0.55) HPGDTYRDAOAKR1B1MAOB
SCHEMBL30493818 0.75 HPGD (0.55) HPGDTYRDAOAKR1B1MAOB

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 10 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
EP-0736529-B1 Improved reagents for a cannabinoid immunoassay HOFFMANN LA ROCHE (CH) 2000-07-05 EP disclosed
WO-1999026476-A1 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORPORATION (US) 1999-06-03 WO disclosed
US-5817766-A CONTAINING A BENZPYRAN COMPOUND ROCHE DIAGNOSTIC SYSTEMS, INC. (US) 1998-10-06 US disclosed
EP-0736529-A1 Improved reagents for a cannabinoid immunoassay F. HOFFMANN-LA ROCHE AG (CH) 1996-10-09 EP 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 HPGD 1063/4885TYR 61/4885DAO 559/4885

“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.