SCHEMBL4374604

SCHEMBL4374604

Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1COCCOCCOS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 6/20 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
HSD17B10 Q99714 5/20 0.38
TSHR P16473 3/20 0.38
ALPL P05186 2/20 0.38
LMNA P02545 4/20 0.36
HPGD P15428 4/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
UBE2N P61088 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL7093976 0.99 MAOA (0.41) MAOAMAOBKDM4EALDH1A1CYP1A2
SCHEMBL6996930 0.88 HSD17B10 (0.39) MAOAMAOBKDM4EALDH1A1CYP1A2
SCHEMBL4373485 0.85 L3MBTL1 (0.43) MAOAMAOBKDM4EALDH1A1CYP1A2
SCHEMBL7524643 0.84 MAOA (0.40) MAOAMAOBKDM4EALDH1A1CYP1A2
SCHEMBL1115728 0.82 L3MBTL1 (0.44) MAOAMAOBKDM4EALDH1A1CYP1A2
Amotosalen SCHEMBL29442584 0.82 MAOA (0.44) MAOAMAOBKDM4EALDH1A1CYP1A2
Amotosalen SCHEMBL599618 0.82 MAOA (0.44) MAOAMAOBKDM4EALDH1A1CYP1A2
Amotosalen SCHEMBL4197287 0.81 MAOA (0.43) MAOAMAOBKDM4EALDH1A1CYP1A2
SCHEMBL13078690 0.81 MAOA (0.50) MAOAMAOBKDM4EALDH1A1CYP1A2
SCHEMBL21585417 0.81 MAOA (0.42) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1584622-B1 Compounds for the photodecontamination of pathogens in blood CERUS CORP (US) 2009-11-11 EP claimed
EP-1584622-A2 Compounds for the photodecontamination of pathogens in blood Cerus Corporation (US) 2005-10-12 EP claimed
EP-0707476-A1 COMPOUNDS FOR THE PHOTODECONTAMINATION OF PATHOGENS IN BLOOD STERITECH, INC (US) 1996-04-24 EP claimed
WO-1995000141-A1 COMPOUNDS FOR THE PHOTODECONTAMINATION OF PATHOGENS IN BLOOD STERITECH, INC. (US) 1995-01-05 WO claimed
EP-1584622-B1 Compounds for the photodecontamination of pathogens in blood CERUS CORP (US) 2009-11-11 EP disclosed
WO-2008030119-A9 ACYCLIC AMINE INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND HYDROLASES INDUSTRIAL RESEARCH LIMITED (NZ) 2009-09-24 WO disclosed
EP-2057165-A1 ACYCLIC AMINE INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND HYDROLASES INDUSTRIAL RESEARCH LIMITED (NZ) 2009-05-13 EP disclosed
WO-2008030119-A1 ACYCLIC AMINE INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND HYDROLASES INDUSTRIAL RESEARCH LIMITED (NZ) 2008-03-13 WO disclosed
EP-1776952-A2 Photodecontamination of pathogens in blood Cerus Corporation (US) 2007-04-25 EP disclosed
EP-0707476-B1 COMPOUNDS FOR THE PHOTODECONTAMINATION OF PATHOGENS IN BLOOD CERUS CORP (US) 2007-02-14 EP disclosed
EP-1584622-A2 Compounds for the photodecontamination of pathogens in blood Cerus Corporation (US) 2005-10-12 EP disclosed
US-6686480-B2 PSORALEN COMPOUNDS WITH AMINOALKYL GROUPS ON THE 5' POSITION AND OPTIONAL ALKYL GROUPS ON POSITIONS 4,4' AND 8 THAT BIND TO NUCLEIC ACID OF PATHOGENS, AND UNDER PHOTOACTIVATION CROSSLINK THE NUCLEIC ACID, INACTIVATING THE PATHOGEN CERUS CORPORATION 2004-02-03 US disclosed
US-20030105339-A1 Psoralen compounds with aminoalkyl groups on the 5' position and optional alkyl groups on positions 4,4' and 8 that bind to nucleic acid of pathogens, and under photoactivation crosslink the nucleic acid, inactivating the pathogen CERUS CORPORATION 2003-06-05 US disclosed
US-6503699-B1 Psoralen compound compositions are synthesized which have substitutions on the 4, 4', 5', and 8 positions of the psoralen, which yet permit their binding to nucleic acid of pathogens. Reaction conditions that photoactivate these bound CERUS CORPORATION 2003-01-07 US disclosed
US-5654443-A AMINOALKYL SUBSTITUTED PSORALENS WHICH CROSSLINK WITH MICROORGANISM NUCLEIC ACID IN PRESENCE OF LIGHT CERUS CORPORATION (US) 1997-08-05 US disclosed
US-5578736-A SUBSTITUTED PSORALENS STERITECH, INC. (US) 1996-11-26 US disclosed
EP-0707476-A1 COMPOUNDS FOR THE PHOTODECONTAMINATION OF PATHOGENS IN BLOOD STERITECH, INC (US) 1996-04-24 EP disclosed
US-5399719-A 4'-/4-Amino-2-oxa/butyl-4,5',8-trimethylpsoralen; preparation of 4'-/omega-amino-2-oxa/alkyl-4,5',8-trimethylpsoralens by reacting analogous omega-hydroxy compound with methanesulfonyl chloride and base, with sodium azide, with reducing agent STERITECH, INC. (US) 1995-03-21 US disclosed
WO-1995000141-A1 COMPOUNDS FOR THE PHOTODECONTAMINATION OF PATHOGENS IN BLOOD STERITECH, INC. (US) 1995-01-05 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-20030105339-A1 Psoralen compounds with aminoalkyl groups on the 5' position and optional alkyl groups on positions 4,4' and 8 that bind to nucleic acid of pathogens, and under photoactivation crosslink the nucleic acid, inactivating the pathogen PCNA, POLL, ERCC4 MAOA 3578/4885MAOB 3983/4885KDM4E 1065/4885

“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.