SCHEMBL6993046

SCHEMBL6993046

Cc1cc(=O)oc2c(CN)c3occc3cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.45
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 4/20 0.44
CYP3A4 P08684 3/20 0.44
MAOA P21397 3/20 0.44
CYP1A2 P05177 2/20 0.44
HTR2C P28335 1/20 0.44
ADORA2A P29274 1/20 0.44
GAA P10253 6/20 0.43
HSD17B10 Q99714 3/20 0.43
GFER P55789 1/20 0.43
MAPT P10636 2/20 0.42
MAOB P27338 1/20 0.42
MGAM O43451 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
SI P14410 1/20 0.42
ALOX15 P16050 1/20 0.42
MGAM2 Q2M2H8 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
SCHEMBL11308490 0.89 MCL1 (0.46) MCL1KDM4EALDH1A1MAPK1CYP3A4
SCHEMBL11319802 0.87 KDM4E (0.48) MCL1KDM4EALDH1A1MAPK1CYP3A4
SCHEMBL11316334 0.86 MCL1 (0.45) MCL1KDM4EALDH1A1MAPK1CYP3A4
SCHEMBL10405325 0.85 MCL1 (0.44) MCL1KDM4EALDH1A1MAPK1CYP3A4
SCHEMBL11317544 0.85 ERAP1 (0.42) KDM4EALDH1A1MAPK1CYP3A4MAOA
SCHEMBL11309628 0.82 KDM4E (0.46) KDM4EALDH1A1MAOACYP1A2GAA
SCHEMBL6545566 0.81 KDM4E (0.62) MCL1KDM4EALDH1A1MAPK1CYP3A4
SCHEMBL6997189 0.80 KDM4E (0.66) MCL1KDM4EALDH1A1MAPK1CYP3A4
SCHEMBL11310023 0.78 MAPT (0.42) MCL1KDM4EALDH1A1MAPK1CYP3A4
SCHEMBL6993346 0.78 MAOA (0.59) MCL1KDM4EALDH1A1MAPK1CYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4269851-A 8-Aminoalkyl-4-alkylpsoralens THOMAS C. ELDER, INC. (US) 1981-05-26 US claimed
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
US-4269851-A 8-Aminoalkyl-4-alkylpsoralens THOMAS C. ELDER, INC. (US) 1981-05-26 US 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 MCL1 1419/4885KDM4E 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.