SCHEMBL6991733

SCHEMBL6991733

NCc1c2ccoc2cc2oc(=O)ccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
CYP3A4 P08684 3/20 0.64
CYP2A6 P11509 2/20 0.64
MAPT P10636 1/20 0.64
HPGD P15428 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
KDM4E B2RXH2 3/20 0.59
KCNA2 P16389 2/20 0.59
CYP1B1 Q16678 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C9 P11712 2/20 0.59
TSHR P16473 2/20 0.59
CYP2C19 P33261 2/20 0.59
HSD17B10 Q99714 2/20 0.59
CYP1A1 P04798 1/20 0.59
PGR P06401 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
MAOA P21397 1/20 0.59
KCNA3 P22001 14/20 0.51

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
Hydrochloric Acid SCHEMBL6999089 0.98 ALDH1A1 (0.62) ALDH1A1CYP3A4CYP2A6MAPTHPGD
SCHEMBL22361197 0.85 ALDH1A1 (0.66) ALDH1A1CYP3A4CYP2A6MAPTHPGD
SCHEMBL20036256 0.84 ALDH1A1 (0.64) ALDH1A1CYP3A4CYP2A6MAPTHPGD
SCHEMBL6802035 0.78 ALDH1A1 (0.70) ALDH1A1CYP3A4CYP2A6MAPTHPGD
Bergaptol SCHEMBL31097369 0.78 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2A6MAPTHPGD
Bergaptol SCHEMBL194016 0.78 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2A6MAPTHPGD
SCHEMBL23406793 0.78 KCNA3 (0.69) ALDH1A1CYP3A4KDM4EKCNA2CYP1A2
SCHEMBL7001811 0.75 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2A6MAPTHPGD
Bergapten SCHEMBL29529284 0.74 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2A6MAPTHPGD
Bergapten SCHEMBL4731782 0.74 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2A6MAPTHPGD

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 1468/4885CYP3A4 544/4885CYP2A6 1441/4885

“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.