SCHEMBL4185890

SCHEMBL4185890

Cc1c2occ(C)c2c(C=O)c2c(C)cc(=O)oc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
KDM4E B2RXH2 9/20 0.48
HSD17B10 Q99714 5/20 0.48
POLB P06746 1/20 0.48
ERN1 O75460 1/20 0.46
HPGD P15428 4/20 0.45
ALDH2 P05091 1/20 0.44
TSHR P16473 3/20 0.44
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 3/20 0.41
MAOA P21397 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
HTR2C P28335 1/20 0.41
ADORA2A P29274 1/20 0.41
KCNA3 P22001 4/20 0.40
MAOB P27338 2/20 0.39
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL17924142 0.78 KDM4E (0.47) ALDH1A1KDM4EHSD17B10POLBHPGD
SCHEMBL9055425 0.78 KDM4E (0.47) ALDH1A1KDM4EHSD17B10POLBHPGD
SCHEMBL9058002 0.78 KDM4E (0.47) ALDH1A1KDM4EHSD17B10POLBHPGD
SCHEMBL8011521 0.73 KDM4E (0.40) ALDH1A1KDM4EHSD17B10POLBHPGD
SCHEMBL4185977 0.72 KDM4E (0.68) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL17174622 0.71 KDM4E (0.47) ALDH1A1KDM4EHSD17B10POLBHPGD
SCHEMBL8010703 0.71 KDM4E (0.38) ALDH1A1KDM4EHSD17B10POLBHPGD
SCHEMBL5086676 0.71 PON1 (0.47) ALDH1A1KDM4EHSD17B10POLBHPGD
SCHEMBL3939905 0.71 KDM4E (0.43) ALDH1A1KDM4EHSD17B10POLBHPGD
SCHEMBL4229673 0.71 KDM4E (0.43) ALDH1A1KDM4EHSD17B10POLBHPGD

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 27 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-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-20030185804-A1 Compounds for the photodecontamination of pathogens in blood CERUS CORPORATION (US) 2003-10-02 US disclosed
US-6544727-B1 Deactivating nucleic acid pathogens CERUS CORPORATION 2003-04-08 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-6469052-B2 PSORALEN COMPOUNDS HAVE SUBSTITUTIONS ON THE 4, 4', 5', AND 8 POSITIONS WHICH PERMIT ENHANCED BINDING OF NUCLEIC ACID OF PATHOGENS CERUS CORPORATION 2002-10-22 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-20020006393-A1 Compounds for the photodecontamination of pathogens in blood STERITECH, INC. 2002-01-17 US disclosed
EP-0840781-A1 METHODS AND DEVICES FOR THE REMOVAL OF PSORALENS FROM BLOOD PRODUCTS Cerus Corporation (US) 1998-05-13 EP 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-1996040857-A1 METHODS AND DEVICES FOR THE REMOVAL OF PSORALENS FROM BLOOD PRODUCTS CERUS CORPORATION (US) 1996-12-19 WO 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
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 (4 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 ALDH1A1 680/4885KDM4E 2849/4885HSD17B10 1492/4885
US-20020115585-A1 Method and devices for the removal of psoralens from blood products SERPINB10, RAD50, F2 ALDH1A1 2114/4885KDM4E 3546/4885HSD17B10 1767/4885
US-20020006393-A1 Compounds for the photodecontamination of pathogens in blood HMBS, HLA-C, HLA-B ALDH1A1 680/4885KDM4E 2849/4885HSD17B10 1492/4885
US-20020192632-A1 Method and devices for the removal of psoralens from blood products PLG, SERPINB10, RAD50 ALDH1A1 1951/4885KDM4E 3483/4885HSD17B10 1471/4885

“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.