SCHEMBL7524643

SCHEMBL7524643

Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1COCCCCS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.40
MAOB P27338 4/20 0.40
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 5/20 0.40
CYP1A2 P05177 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP3A4 P08684 1/20 0.40
HTR2C P28335 1/20 0.40
ADORA2A P29274 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
ALPL P05186 3/20 0.37
ALPI P09923 2/20 0.37
HSD17B10 Q99714 4/20 0.36
TSHR P16473 3/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 3/20 0.36
UBE2N P61088 1/20 0.36
MCL1 Q07820 1/20 0.36
LMNA P02545 5/20 0.35
HTT P42858 3/20 0.35

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
SCHEMBL20863258 0.86 KDM4E (0.43) MAOAMAOBKDM4EALDH1A1CYP1A2
SCHEMBL7519245 0.86 L3MBTL1 (0.42) MAOAMAOBKDM4EALDH1A1CYP1A2
SCHEMBL7093976 0.85 MAOA (0.41) MAOAMAOBKDM4EALDH1A1CYP1A2
SCHEMBL1115532 0.85 L3MBTL1 (0.41) MAOAMAOBKDM4EALDH1A1CYP1A2
SCHEMBL3359066 0.85 MAOA (0.42) MAOAMAOBKDM4EALDH1A1CYP1A2
SCHEMBL4374604 0.84 MAOA (0.40) MAOAMAOBKDM4EALDH1A1CYP1A2
SCHEMBL1115728 0.82 L3MBTL1 (0.44) MAOAMAOBKDM4EALDH1A1CYP1A2
Amotosalen SCHEMBL599618 0.82 MAOA (0.44) MAOAMAOBKDM4EALDH1A1CYP1A2
Amotosalen SCHEMBL29442584 0.82 MAOA (0.44) MAOAMAOBKDM4EALDH1A1CYP1A2
Amotosalen SCHEMBL4197287 0.81 MAOA (0.43) MAOAMAOBKDM4EALDH1A1CYP1A2

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
US-20020182581-A1 Treating blood or blood products with compounds which have a mustard, aziridinium or aziridine group and a nucleic acid binding group CERUS CORPORATION (US) 2002-12-05 US disclosed
US-6410219-B1 DECTIONN OF PATHOGEN DEACTION OF PATHOGEN BY COMPLEXING CERUS CORPORATION 2002-06-25 US disclosed
US-6171777-B1 DECONTAMINATING BY CONTACTING WITH COMPOUND, THEN RECOVERING PRODUCT; DEACTIVATES HUMAN IMMUNODEFICIENCY AND HEPATITIS VIRUSES; BEFORE TRANSFUSIONS OR CLINICAL TESTS CERUS CORPORATION 2001-01-09 US disclosed
US-6143490-A IN VITRO METHOD FOR DEACTIVATION OF VIRAL, BACTERIAL, OR PROTOZOAN PATHOGEN BY ADDING COMPOUND CONSISTING OF INTERCALATOR NUCLEIC ACID BINDING LIGAND AND AN ATTACHED MUSTARD GROUP, TREATING THE MIXTURE, AND RECOVERING BLOOD CERUS CORPORATION (US) 2000-11-07 US disclosed
EP-0773716-A4 TREATING RED BLOOD CELL SOLUTIONS WITH ANTI-VIRAL AGENTS CERUS CORP (US) 1999-08-04 EP disclosed
EP-0773716-A1 TREATING RED BLOOD CELL SOLUTIONS WITH ANTI-VIRAL AGENTS Cerus Corporation (US) 1997-05-21 EP disclosed
WO-1996039818-A1 TREATING RED BLOOD CELL SOLUTIONS WITH ANTI-VIRAL AGENTS CERUS CORPORATION (US) 1996-12-19 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-20020182581-A1 Treating blood or blood products with compounds which have a mustard, aziridinium or aziridine group and a nucleic acid binding group ADAR, CD99, AAAS MAOA 3813/4885MAOB 2679/4885KDM4E 2914/4885

“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.