SCHEMBL6997189

SCHEMBL6997189

Cc1cc2cc3c(C)cc(=O)oc3c(CN)c2o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.66
ALDH1A1 P00352 7/20 0.66
CYP1A2 P05177 2/20 0.66
CYP3A4 P08684 2/20 0.66
MAPK1 P28482 2/20 0.66
MAOA P21397 2/20 0.66
HTR2C P28335 1/20 0.66
ADORA2A P29274 1/20 0.66
MCL1 Q07820 5/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
GAA P10253 8/20 0.41
GLA P06280 6/20 0.41
KMT2A Q03164 4/20 0.40
ERAP1 Q9NZ08 4/20 0.40
POLB P06746 3/20 0.40
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PABPC1 P11940 1/20 0.40
APEX1 P27695 1/20 0.40

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
SCHEMBL10404717 0.84 KDM4E (0.64) KDM4EALDH1A1CYP1A2CYP3A4MAPK1
Trioxsalen SCHEMBL28103198 0.82 KDM4E (0.85) KDM4EALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL6993046 0.80 MCL1 (0.45) KDM4EALDH1A1CYP1A2CYP3A4MAPK1
Trioxsalen SCHEMBL4954831 0.80 KDM4E (1.00) KDM4EALDH1A1CYP1A2CYP3A4MAPK1
Trioxsalen SCHEMBL29432841 0.80 KDM4E (1.00) KDM4EALDH1A1CYP1A2CYP3A4MAPK1
Trioxsalen SCHEMBL1252 0.80 KDM4E (1.00) KDM4EALDH1A1CYP1A2CYP3A4MAPK1
Trioxsalen SCHEMBL11442670 0.78 KDM4E (0.97) KDM4EALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL4201437 0.78 MCL1 (0.45) KDM4EALDH1A1CYP1A2CYP3A4MAPK1
SCHEMBL10405110 0.77 KDM4E (0.71) KDM4EALDH1A1CYP1A2CYP3A4MAPK1
Trioxsalen SCHEMBL28215231 0.77 KDM4E (0.85) KDM4EALDH1A1CYP1A2CYP3A4MAPK1

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 6 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
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 1468/4885CYP1A2 1542/4885

“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.