SCHEMBL7143401

SCHEMBL7143401

O=c1oc2ccccc2cc1CC=CO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
ADAM17 P78536 1/20 0.52
HPGD P15428 3/20 0.51
TYR P14679 1/20 0.51
DAO P14920 1/20 0.51
AKR1B1 P15121 1/20 0.51
MAOA P21397 3/20 0.51
MAOB P27338 5/20 0.50
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 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

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
SCHEMBL9233570 0.84 MAOA (0.51) MMP2MMP9ADAM17HPGDTYR
SCHEMBL7142290 0.84 POLB (0.51) MMP2MMP9ADAM17HPGDTYR
SCHEMBL8366995 0.82 MAOB (0.57) MMP2MMP9ADAM17HPGDTYR
SCHEMBL28468188 0.82 MMP2 (0.50) MMP2MMP9ADAM17HPGDTYR
SCHEMBL28468189 0.82 MMP2 (0.50) MMP2MMP9ADAM17HPGDTYR
SCHEMBL3267547 0.81 MAOA (0.54) MMP2MMP9ADAM17HPGDTYR
SCHEMBL7140695 0.81 MAOB (0.50) MMP2MMP9ADAM17HPGDTYR
SCHEMBL15558092 0.80 VKORC1 (0.54) MMP2MMP9ADAM17HPGDTYR
SCHEMBL30865952 0.78 GAPDH (0.50) MMP2MMP9ADAM17HPGDTYR
SCHEMBL3009674 0.78 HPGD (0.59) MMP2MMP9ADAM17HPGDTYR

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 MMP2 4024/4885MMP9 4308/4885ADAM17 3822/4885

“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.