SCHEMBL4201437

SCHEMBL4201437

Cc1oc2c(CN)c3oc(=O)cc(C)c3cc2c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
KDM4E B2RXH2 9/20 0.44
ALDH1A1 P00352 7/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR2C P28335 1/20 0.44
MAPK1 P28482 1/20 0.44
ADORA2A P29274 1/20 0.44
GAA P10253 5/20 0.42
GLA P06280 4/20 0.42
HSD17B10 Q99714 4/20 0.42
MAPT P10636 2/20 0.42
UBE2N P61088 1/20 0.42
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 5/20 0.41
ERAP1 Q9NZ08 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41

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
Hydrochloric Acid SCHEMBL6997015 0.98 MCL1 (0.44) MCL1MAOAMAOBKDM4EALDH1A1
SCHEMBL29874549 0.85 KDM4E (0.51) MCL1MAOAMAOBKDM4EALDH1A1
SCHEMBL6996035 0.85 MCL1 (0.45) MCL1MAOAMAOBKDM4EALDH1A1
SCHEMBL410269 0.85 KDM4E (0.51) MCL1MAOAMAOBKDM4EALDH1A1
SCHEMBL4194826 0.84 ALDH1A1 (0.60) MCL1MAOAMAOBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1001446 0.84 KDM4E (0.50) MCL1MAOAMAOBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL30428272 0.84 KDM4E (0.50) MCL1MAOAMAOBKDM4EALDH1A1
SCHEMBL6993313 0.83 MCL1 (0.41) MCL1MAOAMAOBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1003339 0.82 MAOA (0.49) MCL1MAOAMAOBKDM4EALDH1A1
SCHEMBL6990104 0.82 KDM4E (0.44) MCL1MAOAMAOBKDM4EALDH1A1

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 32 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-1584622-B1 Compounds for the photodecontamination of pathogens in blood CERUS CORP (US) 2009-11-11 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
EP-1032265-B1 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORP (US) 2003-10-29 EP disclosed
US-20030185804-A1 Compounds for the photodecontamination of pathogens in blood CERUS CORPORATION (US) 2003-10-02 US disclosed
US-20030082510-A1 Psoralens for pathogen inactivation CERUS CORPORATION (US) 2003-05-01 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-6455286-B1 MIXING PSORALEN COMPOUND OF DEFINED STRUCTURE WITH BIOLOGICAL COMPOSITION SUCH AS BLOOD OR PLATELETS, THEN PHOTOACTIVATING COMPOUND TO DEACTIVATE PATHOGEN CERUS CORPORATION 2002-09-24 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 (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 MCL1 742/4885MAOA 2397/4885MAOB 2018/4885
US-20030082510-A1 Psoralens for pathogen inactivation BPGM, XPA, RAD50 MCL1 1419/4885MAOA 2213/4885MAOB 2638/4885
US-20020192632-A1 Method and devices for the removal of psoralens from blood products PLG, SERPINB10, RAD50 MCL1 2605/4885MAOA 2207/4885MAOB 2651/4885

“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.