SCHEMBL7140688

SCHEMBL7140688

C=CC(OC)c1cc2ccccc2oc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
HPGD P15428 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
TYR P14679 1/20 0.44
DAO P14920 1/20 0.44
AKR1B1 P15121 1/20 0.44
POLB P06746 1/20 0.44
MAOB P27338 7/20 0.44
MAOA P21397 4/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
NT5E P21589 1/20 0.43
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL7143389 0.78 HPGD (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2TYR
SCHEMBL9233565 0.78 HPGD (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2TYR
SCHEMBL7142288 0.78 SMN1; SMN2 (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2TYR
SCHEMBL12456653 0.75 HPGD (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2TYR
SCHEMBL30493818 0.75 HPGD (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2TYR
SCHEMBL19127755 0.72 HPGD (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2TYR
SCHEMBL620973 0.72 HPGD (0.55) ALDH1A1KDM4EHPGDSMN1; SMN2TYR
SCHEMBL1568299 0.72 HPGD (0.59) ALDH1A1KDM4EHPGDSMN1; SMN2TYR
SCHEMBL5598796 0.70 ESR1 (0.33) ALDH1A1KDM4EHPGDSMN1; SMN2POLB
SCHEMBL28004016 0.70 HPGD (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2TYR

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 ALDH1A1 1468/4885KDM4E 3035/4885HPGD 1063/4885

“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.