SCHEMBL6513576

SCHEMBL6513576

Cc1ccc(SCCOC=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
HPGD P15428 8/20 0.49
MAPT P10636 4/20 0.49
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK1 P28482 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5539635 0.80 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9AMAPK1
SCHEMBL6677387 0.78 HPGD (0.35) ALDH1A1HPGDMAPTNPSR1TDP1
SCHEMBL9770471 0.77 TDP1 (0.53) ALDH1A1HPGDMAPTNPSR1TDP1
SCHEMBL6841221 0.77 HRH3 (0.43) DRD2CYP1A2CYP3A4CYP2C19
SCHEMBL5168911 0.76 NPC1 (0.65) ALDH1A1HPGDMAPTTDP1NPC1
SCHEMBL7514361 0.76 ALDH1A1 (0.49) ALDH1A1HPGDMAPTNPSR1TDP1
SCHEMBL12203984 0.75 KDM4E (0.53) ALDH1A1HPGDMAPTNPSR1TDP1
SCHEMBL15527792 0.75 MAPT (0.51) ALDH1A1MAPTTDP1MAPK1KDM4E
SCHEMBL24572066 0.73 ALDH1A1 (0.46) ALDH1A1HPGDMAPTNPSR1TDP1
SCHEMBL1607269 0.73 ALDH1A1 (0.54) ALDH1A1HPGDMAPTNPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050118605-A9 Oligomeric compounds having modified bases for binding to adenine and guanine and their use in gene modulation ISIS PHARMACEUTICALS, INC. 2005-06-02 US disclosed
US-20050037370-A1 Oligomeric compounds having modified bases for binding to adenine and guanine and their use in gene modulation BAKER BRENDA F (US) 2005-02-17 US disclosed
US-20050032069-A1 Oligomeric compounds having modified bases for binding to adenine and guanine and their use in gene modulation ISIS PHARMACEUTICALS, INC. 2005-02-10 US disclosed
WO-2004044245-A1 OLIGOMERIC COMPOUNDS HAVING MODIFIED BASES FOR BINDING TO ADENINE AND GUANINE AND THEIR USE IN GENE MODULATION ISIS PHARMACEUTICALS, INC. (US) 2004-05-27 WO disclosed
US-5688760-A BONE DISORDERS TREATED WITH PARATHYROID HORMONE RELATED PROTEINS OR ADENYLATE CYCLASE STIMULATING FACTOR GENENTECH, INC. (US) 1997-11-18 US disclosed
US-5552540-A NONRADIOACTIVE LABELS HOWARD FLOREY INSTITUTE OF EXPERIMENTAL PHYSIOLOGY AND MEDICINE (AU) 1996-09-03 US disclosed
EP-0366685-B1 NUCLEOSIDE DERIVATIVES FLOREY HOWARD INST (AU) 1994-10-19 EP disclosed
EP-0561877-A1 COMPOUNDS AND COMPOSITIONS WHICH INHIBIT BONE RESORPTION THE UNIVERSITY OF MELBOURNE (AU) 1993-09-29 EP disclosed
WO-1992010511-A1 COMPOUNDS AND COMPOSITIONS WHICH INHIBIT BONE RESORPTION THE UNIVERSITY OF MELBOURNE (AU) 1992-06-25 WO disclosed
EP-0366685-A4 NUCLEOSIDE DERIVATIVES 1991-03-20 EP disclosed
EP-0008072-B1 SUBSTITUTED ANTHRANILIC ACID AMIDES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PREPARATION CIBA-GEIGY AG (CH) 1984-02-22 EP disclosed
US-4427581-A BACTERICIDES, FUNGICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-01-24 US disclosed
US-4354966-A Peptides, process for preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-10-19 US disclosed
EP-0057412-A1 Peptide, process for preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-08-11 EP disclosed
US-4311640-A ANTIBIOTIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-01-19 US disclosed
US-4297358-A AS ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1981-10-27 US disclosed
EP-0027260-A2 Peptides, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-22 EP disclosed
EP-0025842-A2 Peptides, process for their preparation, their pharmaceutical compositions and their intermediates FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-01 EP disclosed
EP-0013666-A1 Phenanthroline derivatives, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1980-07-23 EP disclosed
EP-0008072-A1 Substituted anthranilic acid amides, process for their preparation, pharmaceutical compositions containing them and their preparation CIBA-GEIGY AG (CH) 1980-02-20 EP 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-20050037370-A1 Oligomeric compounds having modified bases for binding to adenine and guanine and their use in gene modulation RNMT, RRBP1, G3BP1 ALDH1A1 4679/4885HPGD 4184/4885MAPT 4053/4885
US-20050118605-A9 Oligomeric compounds having modified bases for binding to adenine and guanine and their use in gene modulation RNMT, RRBP1, G3BP1 ALDH1A1 4679/4885HPGD 4184/4885MAPT 4053/4885
US-20050032069-A1 Oligomeric compounds having modified bases for binding to adenine and guanine and their use in gene modulation RNMT, RRBP1, G3BP1 ALDH1A1 4679/4885HPGD 4184/4885MAPT 4053/4885

“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.