SCHEMBL4182898

SCHEMBL4182898

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 4/20 0.53
MAOA P21397 3/20 0.53
MAPK1 P28482 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
HTR2C P28335 1/20 0.53
ADORA2A P29274 1/20 0.53
MAOB P27338 2/20 0.52
PON1 P27169 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.46
LMNA P02545 4/20 0.46
KCNA3 P22001 4/20 0.46
HPGD P15428 3/20 0.46
HTT P42858 3/20 0.46
MAPT P10636 2/20 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

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
SCHEMBL4187788 0.88 KDM4E (0.53) KDM4EALDH1A1MAOAMAPK1CYP1A2
SCHEMBL5489202 0.84 KDM4E (0.53) KDM4EALDH1A1MAOAMAPK1CYP1A2
SCHEMBL3359397 0.84 KDM4E (0.53) KDM4EALDH1A1MAOAMAPK1CYP1A2
SCHEMBL498438 0.84 KDM4E (0.53) KDM4EALDH1A1MAOAMAPK1CYP1A2
SCHEMBL1115777 0.80 KDM4E (0.51) KDM4EALDH1A1MAOAMAPK1CYP1A2
SCHEMBL18074038 0.79 KCNA3 (0.74) KDM4EALDH1A1CYP1A2KCNA3HPGD
SCHEMBL4194826 0.78 ALDH1A1 (0.60) KDM4EALDH1A1MAOAMAPK1CYP1A2
SCHEMBL11307844 0.78 KDM4E (0.55) KDM4EALDH1A1MAOACYP1A2CYP3A4
SCHEMBL3359548 0.76 MAOA (0.45) KDM4EALDH1A1MAOAMAPK1CYP1A2
SCHEMBL3359666 0.76 MAOA (0.45) KDM4EALDH1A1MAOAMAPK1CYP1A2

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 41 patents — showing the first 20. 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-0840781-B1 METHODS AND DEVICES FOR THE REMOVAL OF PSORALENS FROM BLOOD PRODUCTS CERUS CORP (US) 2009-12-09 EP disclosed
EP-1584622-B1 Compounds for the photodecontamination of pathogens in blood CERUS CORP (US) 2009-11-11 EP 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-20030185804-A1 Compounds for the photodecontamination of pathogens in blood CERUS CORPORATION (US) 2003-10-02 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-6544727-B1 Deactivating nucleic acid pathogens CERUS CORPORATION 2003-04-08 US disclosed
WO-1996040857-A1 METHODS AND DEVICES FOR THE REMOVAL OF PSORALENS FROM BLOOD PRODUCTS CERUS CORPORATION (US) 1996-12-19 WO 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
US-5556993-A PSORALEN COMPOUNDS FOR DEACTIVATION OF HEPATITIS AND HIVVIRUSES STERITECH, INC. (US) 1996-09-17 US disclosed
WO-1996014739-A1 COMPOUNDS FOR THE PHOTODECONTAMINATION OF PATHOGENS IN BLOOD CERUS CORPORATION (US) 1996-05-23 WO 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
US-4294822-A 5-Aminoalkyl-4,4,8-trialkylpsoralens THOMAS C. ELDER, INC. (US) 1981-10-13 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 (2 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-20030185804-A1 Compounds for the photodecontamination of pathogens in blood HMBS, HLA-C, HLA-B KDM4E 2849/4885ALDH1A1 680/4885MAOA 2397/4885
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 1674/4885MAOA 3578/4885

“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.