SCHEMBL5489202

SCHEMBL5489202

Cc1cc(=O)oc2c(C)c3oc(CI)c(C)c3cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPK1 P28482 3/20 0.53
MAOA P21397 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 1/20 0.53
HTR2C P28335 1/20 0.53
ADORA2A P29274 1/20 0.53
MAOB P27338 2/20 0.52
LMNA P02545 5/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 3/20 0.46
KCNA3 P22001 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 3/20 0.46
UBE2N P61088 1/20 0.46
TSHR P16473 2/20 0.45
GAA P10253 3/20 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
SCHEMBL3359397 0.84 KDM4E (0.53) KDM4EALDH1A1MAPK1MAOACYP3A4
SCHEMBL4182898 0.84 KDM4E (0.53) KDM4EALDH1A1MAPK1MAOACYP3A4
SCHEMBL4187788 0.84 KDM4E (0.53) KDM4EALDH1A1MAPK1MAOACYP3A4
SCHEMBL498438 0.84 KDM4E (0.53) KDM4EALDH1A1MAPK1MAOACYP3A4
SCHEMBL4374097 0.80 KDM4E (0.51) KDM4EALDH1A1MAPK1MAOACYP3A4
SCHEMBL4194826 0.78 ALDH1A1 (0.60) KDM4EALDH1A1MAPK1MAOACYP3A4
SCHEMBL3359548 0.76 MAOA (0.45) KDM4EALDH1A1MAPK1MAOACYP3A4
SCHEMBL3359666 0.76 MAOA (0.45) KDM4EALDH1A1MAPK1MAOACYP3A4
SCHEMBL4187785 0.76 KDM4E (0.50) KDM4EALDH1A1MAPK1MAOACYP3A4
SCHEMBL9132405 0.76 KDM4E (0.50) KDM4EALDH1A1MAPK1MAOACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-6420570-B1 THE PRESENT INVENTION CONTEMPLATES METHODS OF INACTIVATING MICROORGANISMS IN BLOOD PREPARATIONS, BLOOD PREPARATION SUSPECTED OF BEING CONTAMINATED WITH A PATHOGEN HAVING NUCLEIC ACID CERUS CORPORATION 2002-07-16 US disclosed
US-5972593-A MIXING COMPOUND WITH BLOOD PREPARATION, THEN PHOTOACTIVATING COMPOUND CAUSING COVALENT BINDING TO MICROORGANISM NUCLEIC ACIDS; HIGHER BINDING LEVELS, LOWER MUTAGENICITY; FOR SAFER, EFFICIENT AND ACCURATE DEACTIVATION CERUS CORPORATION (US) 1999-10-26 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-5585503-A PSORALEN COMPOUNDS STERITECH, INC. (US) 1996-12-17 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 KDM4E 1065/4885ALDH1A1 1674/4885MAPK1 4175/4885

“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.