SCHEMBL4379178

SCHEMBL4379178

Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1COCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 7/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
KCNA3 P22001 3/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 3/20 0.37
CYP1A2 P05177 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
SCHEMBL4958027 0.84 KCNA3 (0.46) L3MBTL1MAPTHPGDALDH1A1KMT2A
Amotosalen SCHEMBL29442584 0.79 MAOA (0.44) L3MBTL1MAPTHPGDALDH1A1KMT2A
SCHEMBL1115728 0.79 L3MBTL1 (0.44) L3MBTL1MAPTHPGDALDH1A1KMT2A
Amotosalen SCHEMBL599618 0.79 MAOA (0.44) L3MBTL1MAPTHPGDALDH1A1KMT2A
Amotosalen SCHEMBL4197287 0.78 MAOA (0.43) L3MBTL1MAPTHPGDALDH1A1KMT2A
SCHEMBL13078690 0.78 MAOA (0.50) L3MBTL1MAPTHPGDALDH1A1KMT2A
SCHEMBL3359066 0.77 MAOA (0.42) L3MBTL1MAPTHPGDALDH1A1KMT2A
SCHEMBL21585417 0.77 MAOA (0.42) L3MBTL1MAPTHPGDALDH1A1KMT2A
SCHEMBL21585418 0.77 MAOB (0.42) L3MBTL1MAPTHPGDALDH1A1KMT2A
Amotosalen SCHEMBL15229366 0.77 MAOA (0.42) L3MBTL1MAPTHPGDALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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 (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 L3MBTL1 554/4885MAPT 1645/4885HPGD 836/4885
US-20020115585-A1 Method and devices for the removal of psoralens from blood products SERPINB10, RAD50, F2 L3MBTL1 1637/4885MAPT 3529/4885HPGD 502/4885
US-20020006393-A1 Compounds for the photodecontamination of pathogens in blood HMBS, HLA-C, HLA-B L3MBTL1 554/4885MAPT 1645/4885HPGD 836/4885
US-20020192632-A1 Method and devices for the removal of psoralens from blood products PLG, SERPINB10, RAD50 L3MBTL1 2347/4885MAPT 3031/4885HPGD 525/4885

“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.