SCHEMBL6802035

SCHEMBL6802035

Cc1c2ccoc2cc2oc(=O)ccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
CYP3A4 P08684 4/20 0.70
CYP2A6 P11509 3/20 0.70
MAPT P10636 2/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
HPGD P15428 1/20 0.70
KDM4E B2RXH2 5/20 0.69
CYP1B1 Q16678 2/20 0.69
CYP2D6 P10635 2/20 0.69
CYP2C9 P11712 2/20 0.69
MAOA P21397 2/20 0.69
CYP2C19 P33261 2/20 0.69
HSD17B10 Q99714 2/20 0.69
KCNA2 P16389 2/20 0.69
CYP1A1 P04798 1/20 0.69
CYP1A2 P05177 1/20 0.69
PGR P06401 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
TSHR P16473 1/20 0.69
KCNA3 P22001 10/20 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
Bergaptol SCHEMBL31097369 0.82 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2A6MAPTL3MBTL1
Bergaptol SCHEMBL194016 0.82 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2A6MAPTL3MBTL1
Bergapten SCHEMBL4731782 0.81 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2A6MAPTL3MBTL1
Bergapten SCHEMBL29529284 0.81 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2A6MAPTL3MBTL1
SCHEMBL20036256 0.81 ALDH1A1 (0.64) ALDH1A1CYP3A4CYP2A6MAPTL3MBTL1
Bergapten SCHEMBL50066 0.81 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2A6MAPTL3MBTL1
SCHEMBL22361197 0.79 ALDH1A1 (0.66) ALDH1A1CYP3A4CYP2A6MAPTL3MBTL1
SCHEMBL19346062 0.78 ALDH1A1 (0.72) ALDH1A1CYP3A4CYP2A6MAPTL3MBTL1
SCHEMBL6991733 0.78 ALDH1A1 (0.64) ALDH1A1CYP3A4CYP2A6MAPTL3MBTL1
SCHEMBL9122678 0.78 ALDH1A1 (0.71) ALDH1A1CYP3A4CYP2A6L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034881-B2 Treatment for vitiligo RIGEL PHARMACEUTICALS, INC. (US) 2015-05-19 US claimed
EP-3732994-A1 REDUCED SODIUM FOOD PRODUCTS GENERAL MILLS, INC. (US) 2020-11-04 EP disclosed
US-6680025-B2 PREVENTING CARRYOVER CONTAMINATION USING PSORALENS AND ISOPSORALENS CERUS CORPORATION 2004-01-20 US disclosed
US-20030170141-A1 Device and method for photoactivation CERUS CORPORATION (US) 2003-09-11 US disclosed
US-6461567-B1 FOR CONTROLLING CARRYOVER USING PSORALENS WHICH INTERCALATE BETWEEN BASE PAIRS OF DOUBLE-STRANDED NUCLEIC ACIDS, FORMING COVALENT ADDUCTS TO PYRIMIDINE BASES UPON ABSORPTION OF ULTRAVIOLET LIGHT CERUS CORPORATION 2002-10-08 US disclosed
US-20020044885-A1 Device and method for photoactivation HEARST DAVID PAUL (US) 2002-04-18 US disclosed
US-6258319-B1 FOR PHOTOACTIVATING NEW AND KNOWN COMPOUNDS; FOR BINDING COMPOUNDS TO NUCLEIC ACID CERUS CORPORATION 2001-07-10 US disclosed
EP-0890363-A2 A device for nucleic acid sterilization ISAACS, Stephen T. (US) 1999-01-13 EP disclosed
US-5854967-A Device and method for photoactivation CERUS CORPORATION (US) 1998-12-29 US disclosed
US-5683661-A ELECTROMAGNETIC RADIATION, SUPPORTING A SAMPLE IN OPAQUE HOUSING CERUS CORPORATION (US) 1997-11-04 US disclosed
US-5503721-A IRRADIATING SAMPLE VESSEL WHILE HOLDING IN FIXED POSITION HRI RESEARCH, INC. (US) 1996-04-02 US disclosed
EP-0497921-A4 ISAACS STEPHEN T (US) 1995-06-28 EP disclosed
US-5221608-A Adding a polymerase and an isopsoralen compound to a mixture of nucleic acid and amplification reagents, and exposing to ultraviolet radiation to form isopsoralen monoadduct which inhibits polymerase STERITECH, INC. 1993-06-22 US disclosed
US-5184020-A For treating photoreactive compounds STERITECH, INC. 1993-02-02 US disclosed
US-5139940-A Isopsoralen derives; complex with nucleic acids STERITECH, INC. 1992-08-18 US disclosed
EP-0497921-A1 ACTIVATION COMPOUNDS AND METHODS FOR NUCLEIC ACID STERILIZATION ISAACS, Stephen T. (US) 1992-08-12 EP disclosed
WO-1991006665-A1 ACTIVATION COMPOUNDS AND METHODS FOR NUCLEIC ACID STERILIZATION ISAACS STEPHEN T (US) 1991-05-16 WO disclosed
US-4279922-A Photosensitizing benzofuranacrylics THOMAS C. ELDER, INC. (US) 1981-07-21 US disclosed