SCHEMBL6806005

SCHEMBL6806005

C=C(Cl)COc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 1.00
HPGD P15428 6/20 1.00
MAPT P10636 5/20 1.00
KMT2A Q03164 5/20 1.00
HSD17B10 Q99714 4/20 1.00
TP53 P04637 2/20 1.00
KDM4E B2RXH2 8/20 0.75
PKM P14618 3/20 0.75
TSHR P16473 2/20 0.75
LMNA P02545 1/20 0.75
TDP1 Q9NUW8 2/20 0.70
NPSR1 Q6W5P4 1/20 0.70
AR P10275 1/20 0.67
MEN1 O00255 3/20 0.65
POLB P06746 3/20 0.63
GLA P06280 2/20 0.61
GAA P10253 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
ALDH2 P05091 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL14883408 0.88 ALDH1A1 (0.79) ALDH1A1HPGDMAPTKMT2AHSD17B10
SCHEMBL3210418 0.88 ALDH1A1 (0.79) ALDH1A1HPGDMAPTKMT2AHSD17B10
SCHEMBL11432529 0.87 ALDH1A1 (0.77) ALDH1A1HPGDMAPTKMT2AHSD17B10
SCHEMBL2803955 0.84 ALDH1A1 (0.80) ALDH1A1HPGDMAPTKMT2AHSD17B10
SCHEMBL29881770 0.84 ALDH1A1 (0.80) ALDH1A1HPGDMAPTKMT2AHSD17B10
SCHEMBL11316690 0.84 AR (0.74) ALDH1A1HPGDMAPTKMT2AHSD17B10
SCHEMBL5717615 0.83 AR (0.73) ALDH1A1HPGDMAPTKMT2AHSD17B10
SCHEMBL15499731 0.82 ALDH1A1 (0.81) ALDH1A1HPGDMAPTKMT2AHSD17B10
SCHEMBL20364004 0.81 ALDH1A1 (0.77) ALDH1A1HPGDMAPTKMT2AHSD17B10
SCHEMBL8093680 0.81 ALDH1A1 (0.67) ALDH1A1HPGDMAPTKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0497921-B1 METHOD FOR INHIBITING ENZYMATIC SYNTHESIS OF NUCLEIC ACIDS USING ISOPSORALENS ISAACS STEPHEN T (US) 1999-05-19 EP 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