SCHEMBL6990104

SCHEMBL6990104

COCc1c2oc(=O)cc(C)c2cc2c(C)c(C)oc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 6/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 2/20 0.44
MCL1 Q07820 3/20 0.43
MAOA P21397 3/20 0.43
MAOB P27338 2/20 0.43
GLA P06280 4/20 0.42
GAA P10253 4/20 0.42
ERAP1 Q9NZ08 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
PABPC1 P11940 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL1006100 0.86 MAOA (0.49) KDM4EALDH1A1L3MBTL1HPGDHSD17B10
SCHEMBL6993313 0.83 MCL1 (0.41) KDM4EALDH1A1L3MBTL1HPGDHSD17B10
SCHEMBL7000396 0.83 MCL1 (0.41) KDM4EALDH1A1L3MBTL1HPGDHSD17B10
SCHEMBL4201437 0.82 MCL1 (0.45) KDM4EALDH1A1L3MBTL1HPGDHSD17B10
SCHEMBL6996035 0.82 MCL1 (0.45) KDM4EALDH1A1L3MBTL1HPGDHSD17B10
Hydrochloric Acid SCHEMBL7001517 0.82 MCL1 (0.41) KDM4EALDH1A1L3MBTL1HPGDHSD17B10
SCHEMBL4194826 0.81 ALDH1A1 (0.60) KDM4EALDH1A1L3MBTL1HPGDHSD17B10
Hydrochloric Acid SCHEMBL6997015 0.81 MCL1 (0.44) KDM4EALDH1A1L3MBTL1HPGDHSD17B10
SCHEMBL6996930 0.79 HSD17B10 (0.39) KDM4EALDH1A1L3MBTL1HPGDHSD17B10
SCHEMBL6999793 0.78 KCNA2 (0.49) KDM4EALDH1A1L3MBTL1HPGDHSD17B10

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 KDM4E 3035/4885ALDH1A1 1468/4885L3MBTL1 779/4885

“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.