SCHEMBL4187785

SCHEMBL4187785

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
ALDH1A1 P00352 6/20 0.50
MAPK1 P28482 3/20 0.50
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP1A2 P05177 1/20 0.50
HTR2C P28335 1/20 0.50
ADORA2A P29274 1/20 0.50
L3MBTL1 Q9Y468 5/20 0.46
HSD17B10 Q99714 3/20 0.44
MAPT P10636 3/20 0.44
UBE2N P61088 1/20 0.44
TSHR P16473 2/20 0.43
LMNA P02545 5/20 0.42
HTT P42858 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MCL1 Q07820 2/20 0.41
GAA P10253 4/20 0.40

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 0.88 KDM4E (0.53) KDM4EALDH1A1MAPK1MAOAMAOB
SCHEMBL3363862 0.87 KDM4E (0.51) KDM4EALDH1A1MAPK1MAOAMAOB
SCHEMBL9132405 0.85 KDM4E (0.50) KDM4EALDH1A1MAPK1MAOAMAOB
SCHEMBL9133522 0.85 KDM4E (0.50) KDM4EALDH1A1MAPK1MAOAMAOB
SCHEMBL6996035 0.78 MCL1 (0.45) KDM4EALDH1A1MAPK1MAOAMAOB
SCHEMBL498438 0.76 KDM4E (0.53) KDM4EALDH1A1MAPK1MAOAMAOB
SCHEMBL5489202 0.76 KDM4E (0.53) KDM4EALDH1A1MAPK1MAOAMAOB
SCHEMBL4187788 0.76 KDM4E (0.53) KDM4EALDH1A1MAPK1MAOAMAOB
SCHEMBL4182898 0.76 KDM4E (0.53) KDM4EALDH1A1MAPK1MAOAMAOB
SCHEMBL11435078 0.76 L3MBTL1 (0.57) KDM4EALDH1A1MAPK1MAOAMAOB

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0840781-B1 METHODS AND DEVICES FOR THE REMOVAL OF PSORALENS FROM BLOOD PRODUCTS CERUS CORP (US) 2009-12-09 EP disclosed
EP-1776952-A2 Photodecontamination of pathogens in blood Cerus Corporation (US) 2007-04-25 EP disclosed
EP-1584622-A2 Compounds for the photodecontamination of pathogens in blood Cerus Corporation (US) 2005-10-12 EP disclosed
US-20030185804-A1 Compounds for the photodecontamination of pathogens in blood CERUS CORPORATION (US) 2003-10-02 US disclosed
US-20020192632-A1 Method and devices for the removal of psoralens from blood products HEI DEREK J (US) 2002-12-19 US disclosed
US-20020115585-A1 Method and devices for the removal of psoralens from blood products HEI DEREK J (US) 2002-08-22 US disclosed
US-6218100-B1 ELIMINATING VIRAL DISEASE TRANSMISSION THROUGH BLOOD PRODUCTS VIA SAID COMPOSITIONS WHICH HAVE ABILITY TO INACTIVATE PATHOGENS IN PRESENCE OF ULTAVIOLET LIGHT WITHOUT EFFECTING BLOOD PRODUCT FUNCTIONING OR EXHIBITING MUTAGENICITY CERUS CORPORATION 2001-04-17 US disclosed
US-6194139-B1 USING A PSORALEN COMPOUND CERUS CORPORATION 2001-02-27 US disclosed
US-6017691-A MIXTURE WITH IMPROVED VIRICIDAL ACTIVITY AND LOW MUTAGENICITY CERUS CORPORATION (US) 2000-01-25 US disclosed
US-6004741-A ENHANCED BINDING TO NUCLEIC ACID OF PATHOGENS, RESULTING IN SAFER, MORE EFFICIENT, AND RELIABLE INACTIVATION OF PATHOGENS IN BLOOD PRODUCTS CERUS CORPORATION (US) 1999-12-21 US disclosed
US-5871900-A BACTERIA OR VIRUSES IN BLOOD CERUS CORPORATION (US) 1999-02-16 US disclosed
US-5712085-A PLATELET STORAGE CERUS CORPORATION (US) 1998-01-27 US disclosed
WO-1997021346-A1 INACTIVATION OF NON-ENVELOPED VIRUS CERUS CORPORATION (US) 1997-06-19 WO disclosed
US-5625079-A Synthesizing psoralen compounds useful as intermediates CERUS CORPORATION (US) 1997-04-29 US disclosed
US-5593823-A FOR A SUFFICIENT DURATION, INTENSITY AND WAVELENGTH CERUS CORPORATION (US) 1997-01-14 US disclosed
WO-1996039820-A1 METHODS OF INACTIVATING LEUKOCYTES AND INHIBITING CYTOKINE PRODUCTION IN BLOOD PRODUCTS CERUS CORPORATION (US) 1996-12-19 WO 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
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 (3 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 680/4885MAPK1 4468/4885
US-20020115585-A1 Method and devices for the removal of psoralens from blood products SERPINB10, RAD50, F2 KDM4E 3546/4885ALDH1A1 2114/4885MAPK1 4212/4885
US-20020192632-A1 Method and devices for the removal of psoralens from blood products PLG, SERPINB10, RAD50 KDM4E 3483/4885ALDH1A1 1951/4885MAPK1 4591/4885

“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.