Methoxsalen

Methoxsalen

SCHEMBL598765

COc1c2occc2cc2ccc(=O)oc12.O=c1ccc2cc3ccoc3cc2o1

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.82
MAOA P21397 5/20 0.82
CYP2D6 P10635 3/20 0.82
CYP2A6 P11509 3/20 0.82
CYP2C19 P33261 3/20 0.82
CYP1A2 P05177 3/20 0.82
ACHE P22303 2/20 0.82
TSHR P16473 2/20 0.82
PDE4A P27815 1/20 0.82
MAPK1 P28482 1/20 0.82
SLC6A3 Q01959 1/20 0.82
CYP2A13 Q16696 1/20 0.82
KDM4E B2RXH2 8/20 0.66
HSD17B10 Q99714 6/20 0.66
CYP2C9 P11712 2/20 0.66
NFKB1 P19838 1/20 0.66
POLB P06746 2/20 0.59
MAPT P10636 2/20 0.59
MAOB P27338 1/20 0.55
ALDH1A1 P00352 6/20 0.53

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
Methoxsalen SCHEMBL29376525 0.90 CYP3A4 (1.00) CYP3A4MAOACYP2D6CYP2A6CYP2C19
Methoxsalen SCHEMBL2302069 0.90 CYP3A4 (1.00) CYP3A4MAOACYP2D6CYP2A6CYP2C19
Methoxsalen SCHEMBL19168 0.90 CYP3A4 (1.00) CYP3A4MAOACYP2D6CYP2A6CYP2C19
Methoxsalen SCHEMBL6142553 0.89 CYP3A4 (0.97) CYP3A4MAOACYP2D6CYP2A6CYP2C19
Bergapten SCHEMBL9792363 0.88 CYP3A4 (0.74) CYP3A4MAOACYP2D6CYP2A6CYP2C19
Psoralen SCHEMBL28497870 0.84 KDM4E (0.86) CYP3A4MAOACYP2D6CYP2A6CYP2C19
Methoxsalen SCHEMBL9387169 0.84 CYP3A4 (0.86) CYP3A4MAOACYP2D6CYP2A6CYP2C19
Methoxsalen SCHEMBL10572509 0.83 CYP3A4 (0.84) CYP3A4MAOACYP2D6CYP2A6CYP2C19
Psoralen SCHEMBL2684633 0.81 MAOA (1.00) CYP3A4MAOACYP2D6CYP2A6CYP2C19
Psoralen SCHEMBL29503678 0.81 MAOA (1.00) CYP3A4MAOACYP2D6CYP2A6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443922-B1 The use of apoptotic cells ex vivo to generate regulatory T cells THERAKOS INC (US) 2017-05-03 EP claimed
EP-1550454-B1 Extracorporeal photopheresis in combination with anti-TNF treatment THERAKOS INC (US) 2011-03-09 EP claimed
EP-1469011-B1 Hemoglobin conjugates PANZERI EZIO (IT) 2007-11-07 EP claimed
EP-0910428-B1 PHOTOPHERESIS TREATMENT OF CHRONIC HCV INFECTIONS THERAKOS INC (US) 2005-10-26 EP claimed
EP-0935462-B1 PHOTOPHERESIS TREATMENT OF LEUKOCYTES THERAKOS INC (US) 2005-07-27 EP claimed
EP-0668772-B1 SPECIFIC IMMUNE SYSTEM MODULATION UNIV YALE (US) 2000-08-30 EP claimed
EP-0579784-B1 METHOD FOR PREVENTING RESTENOSIS FOLLOWING RECONFIGURATION OF BODY VESSELS ADVANCED RES & TECH INST (US) 1999-11-10 EP claimed
EP-0392429-A1 Psoralen-reagens F. HOFFMANN-LA ROCHE AG (CH) 1990-10-17 EP claimed
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. 2017-02-23 US disclosed
EP-2913052-A1 Phototherapy compositions and methods OMJ Ireland Limited (PR) 2015-09-02 EP disclosed
EP-1674095-B1 Phototherapy compositions OMJ IRELAND LTD (PR) 2014-08-20 EP disclosed
US-8481008-B2 Phototherapy compositions and methods THERAKOS, INC. (US) 2013-07-09 US disclosed
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US disclosed
EP-0683671-A1 IMMUNE SYSTEM MODULATION USING PSORALENS ACTIVATED WITH VISIBLE LIGHT YALE UNIVERSITY (US) 1995-11-29 EP disclosed
US-5462733-A Irradiating a suspension of cells with visible light in the presence of psoralen YALE UNIVERSITY (US) 1995-10-31 US disclosed
US-5372929-A Methods for measuring the inactivation of pathogens CERUS CORPORATION 1994-12-13 US disclosed
WO-1994017812-A1 IMMUNE SYSTEM MODULATION USING PSORALENS ACTIVATED WITH VISIBLE LIGHT YALE UNIVERSITY (US) 1994-08-18 WO disclosed
WO-1993015215-A1 METHODS FOR MEASURING THE INACTIVATION OF PATHOGENS HRI RESEARCH, INC. (US) 1993-08-05 WO disclosed
US-4464354-A (3,4-c)-Pyrido psoralens, process of preparation, application in cosmetology and therapeutics, and cosmetological and pharmaceutical composition with them INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1984-08-07 US 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 (2 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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX CYP3A4 1067/4885MAOA 1808/4885CYP2D6 1533/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX CYP3A4 975/4885MAOA 1886/4885CYP2D6 1343/4885

“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.