SCHEMBL6991692

SCHEMBL6991692

Cc1cc2cc3c(C)c(COCCN)c(=O)oc3c(C)c2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
HTR2C P28335 1/20 0.46
ADORA2A P29274 1/20 0.46
POLB P06746 4/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
GPR35 Q9HC97 1/20 0.33
TNF P01375 1/20 0.33
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
BLM P54132 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL7632180 0.83 ALDH1A1 (0.51) MAPK1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL756454 0.83 ALDH1A1 (0.54) MAPK1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL9100323 0.83 KDM4E (0.41) MAPK1KDM4EALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6991180 0.82 ALDH1A1 (0.52) MAPK1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL6997878 0.80 POLB (0.50) MAPK1KDM4EALDH1A1POLBTP53
Hydrochloric Acid SCHEMBL6996187 0.79 POLB (0.49) MAPK1KDM4EALDH1A1POLBTP53
SCHEMBL8504877 0.78 KDM4E (0.46) MAPK1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL10588182 0.78 ALDH1A1 (0.54) MAPK1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7989481 0.78 KDM4E (0.54) MAPK1KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL11408643 0.77 ALDH1A1 (0.52) MAPK1KDM4EALDH1A1CYP1A2CYP3A4

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 MAPK1 3918/4885KDM4E 3035/4885ALDH1A1 1468/4885

“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.