SCHEMBL6996035

SCHEMBL6996035

Cc1oc2c(CBr)c3oc(=O)cc(C)c3cc2c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
KDM4E B2RXH2 10/20 0.44
ALDH1A1 P00352 8/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR2C P28335 1/20 0.44
MAPK1 P28482 1/20 0.44
ADORA2A P29274 1/20 0.44
L3MBTL1 Q9Y468 5/20 0.44
GLA P06280 5/20 0.44
GAA P10253 5/20 0.44
ERAP1 Q9NZ08 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.44
PABPC1 P11940 1/20 0.44
APEX1 P27695 1/20 0.44

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
SCHEMBL3363862 0.85 KDM4E (0.51) MCL1MAOAMAOBKDM4EALDH1A1
SCHEMBL4201437 0.85 MCL1 (0.45) MCL1MAOAMAOBKDM4EALDH1A1
SCHEMBL4194826 0.84 ALDH1A1 (0.60) MCL1MAOAMAOBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6997015 0.84 MCL1 (0.44) MCL1MAOAMAOBKDM4EALDH1A1
SCHEMBL6990104 0.82 KDM4E (0.44) MCL1MAOAMAOBKDM4EALDH1A1
SCHEMBL9133522 0.78 KDM4E (0.50) MCL1MAOAMAOBKDM4EALDH1A1
SCHEMBL4187785 0.78 KDM4E (0.50) MCL1MAOAMAOBKDM4EALDH1A1
SCHEMBL7000396 0.77 MCL1 (0.41) MCL1MAOAMAOBKDM4EALDH1A1
SCHEMBL6993313 0.77 MCL1 (0.41) MCL1MAOAMAOBKDM4EALDH1A1
SCHEMBL3359397 0.77 KDM4E (0.53) MCL1MAOAMAOBKDM4EALDH1A1

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 MCL1 1419/4885MAOA 2213/4885MAOB 2638/4885

“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.