SCHEMBL4187228

SCHEMBL4187228

COc1c2occc2c(Br)c2ccc(=O)oc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.80
KDM4E B2RXH2 6/20 0.80
CYP1A2 P05177 5/20 0.80
CYP1A1 P04798 4/20 0.80
CYP1B1 Q16678 4/20 0.80
HPGD P15428 3/20 0.80
POLB P06746 1/20 0.80
ALDH1A1 P00352 6/20 0.68
ALOX15 P16050 1/20 0.68
KCNA2 P16389 2/20 0.57
MAPT P10636 3/20 0.56
ABCB1 P08183 1/20 0.56
CYP2D6 P10635 3/20 0.56
CYP2C19 P33261 3/20 0.56
CYP2A6 P11509 2/20 0.56
TSHR P16473 2/20 0.56
MAOA P21397 2/20 0.56
PDE4A P27815 2/20 0.56
MAPK1 P28482 2/20 0.56
ACHE P22303 1/20 0.56

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
Isopimpinellin SCHEMBL29568822 0.89 CYP3A4 (1.00) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
Isopimpinellin SCHEMBL498907 0.89 CYP3A4 (1.00) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL434686 0.85 CYP3A4 (0.80) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL20278781 0.85 CYP3A4 (0.80) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL31542614 0.85 CYP3A4 (0.80) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL6200404 0.84 CYP3A4 (0.74) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
Pimpinellin SCHEMBL2255899 0.81 CYP3A4 (1.00) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL5960652 0.81 CYP3A4 (0.74) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL2383938 0.81 CYP3A4 (0.74) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL498745 0.80 CYP3A4 (0.72) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0840781-A4 METHODS AND DEVICES FOR THE REMOVAL OF PSORALENS FROM BLOOD PRODUCTS CERUS CORP (US) 2001-03-21 EP claimed
EP-0840781-A1 METHODS AND DEVICES FOR THE REMOVAL OF PSORALENS FROM BLOOD PRODUCTS Cerus Corporation (US) 1998-05-13 EP claimed
WO-1996040857-A1 METHODS AND DEVICES FOR THE REMOVAL OF PSORALENS FROM BLOOD PRODUCTS CERUS CORPORATION (US) 1996-12-19 WO claimed
US-20180169433-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES IMMUNOLIGHT, LLC (US) 2018-06-21 US disclosed
EP-0840781-B1 METHODS AND DEVICES FOR THE REMOVAL OF PSORALENS FROM BLOOD PRODUCTS CERUS CORP (US) 2009-12-09 EP 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-20020115585-A1 Method and devices for the removal of psoralens from blood products HEI DEREK J (US) 2002-08-22 US disclosed
EP-0840781-A4 METHODS AND DEVICES FOR THE REMOVAL OF PSORALENS FROM BLOOD PRODUCTS CERUS CORP (US) 2001-03-21 EP disclosed
US-6187572-B1 DECONTAMINATING BLOOD AND CELL CULTURES BY MIXING WITH A CHEMICAL RADIATION SENSITIZER WHICH DOES NOT BIND TO THE MEMBRANE, FREEZING OR FREEZE-DRYING THE MIXTURE, THEN EXPOSING TO ELECTROMAGNETIC RADIATION BAXTER INTERNATIONAL INC. 2001-02-13 US disclosed
US-5919935-A Psoralen sensitizers for viral inactivation THE OHIO STATE RESEARCH FOUNDATION (US) 1999-07-06 US disclosed
WO-1998022468-A1 PSORALEN SENSITIZERS FOR VIRAL INACTIVATION OHIO STATE RESEARCH FOUNDATION (US) 1998-05-28 WO disclosed
EP-0840781-A1 METHODS AND DEVICES FOR THE REMOVAL OF PSORALENS FROM BLOOD PRODUCTS Cerus Corporation (US) 1998-05-13 EP disclosed
US-5587490-A BINDING TO A PSORALEN COMPOUND CREDIT MANAGERS ASSOCIATION OF CALIFORNIA (US) 1996-12-24 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-5418130-A Phosphonium or ammonium halo-psoralen CRYOPHARM CORPORATION (US) 1995-05-23 US disclosed
WO-1995002324-A1 METHOD OF INACTIVATION OF VIRAL AND BACTERIAL BLOOD CONTAMINANTS CRYOPHARM CORPORATION (US) 1995-01-26 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-20020115585-A1 Method and devices for the removal of psoralens from blood products SERPINB10, RAD50, F2 CYP3A4 2116/4885KDM4E 3546/4885CYP1A2 2867/4885
US-20180169433-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES NFATC1, CDK10, PDCD10 CYP3A4 2619/4885KDM4E 948/4885CYP1A2 2165/4885
US-20020192632-A1 Method and devices for the removal of psoralens from blood products PLG, SERPINB10, RAD50 CYP3A4 1368/4885KDM4E 3483/4885CYP1A2 1957/4885

“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.