SCHEMBL6995876

SCHEMBL6995876

Cc1coc2cc3oc(=O)cc(CN)c3cc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.78
KDM4E B2RXH2 8/20 0.72
TSHR P16473 4/20 0.72
HSD17B10 Q99714 4/20 0.72
HPGD P15428 3/20 0.72
POLB P06746 3/20 0.72
KCNA2 P16389 1/20 0.71
KCNA1 Q09470 1/20 0.71
KCNA3 P22001 6/20 0.56
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A2 O94788 2/20 0.49
ALDH2 P05091 2/20 0.49
ALDH1B1 P30837 2/20 0.49
ALDH1A3 P47895 2/20 0.49

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 SCHEMBL7000338 0.99 ALDH1A1 (0.76) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL11380969 0.84 ALDH1A1 (1.00) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL1002900 0.82 ALDH1A1 (1.00) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL11382405 0.76 ALDH1A1 (0.79) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL7000371 0.75 MAOA (0.60) ALDH1A1KDM4ETSHRHSD17B10HPGD
Hydrochloric Acid SCHEMBL7000954 0.74 MAOA (0.59) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL19248241 0.73 ALDH1A1 (0.67) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL18074127 0.71 KCNA3 (0.79) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL18074006 0.71 KCNA3 (1.00) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL11376434 0.71 ALDH1A1 (0.68) ALDH1A1KDM4ETSHRHSD17B10HPGD

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 3035/4885TSHR 3453/4885

“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.