SCHEMBL521687

SCHEMBL521687

O=C(OCc1ccccc1)c1ccccc1F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
TDP1 Q9NUW8 3/20 0.67
SLC6A2 P23975 1/20 0.59
SLC6A3 Q01959 1/20 0.59
KMT2A Q03164 1/20 0.59
L3MBTL1 Q9Y468 5/20 0.58
TSHR P16473 2/20 0.58
CYP3A4 P08684 2/20 0.58
MAPK1 P28482 2/20 0.58
POLB P06746 1/20 0.56
NPC1 O15118 1/20 0.55
LMNA P02545 3/20 0.54
KDM4E B2RXH2 3/20 0.52
RAB9A P51151 2/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL27867043 0.88 ALDH1A1 (0.63) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL6833168 0.87 TDP1 (0.64) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL23754658 0.87 ALDH1A1 (0.61) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL29388715 0.87 ALDH1A1 (0.89) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL50441 0.87 ALDH1A1 (0.89) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL18782372 0.86 ALDH1A1 (0.64) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL27670732 0.85 ALDH1A1 (0.59) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL26773019 0.85 ALDH1A1 (0.59) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL4145578 0.84 ALDH1A1 (0.58) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL15260788 0.84 ALDH1A1 (0.77) ALDH1A1TDP1SLC6A2SLC6A3KMT2A

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
CN-117794526-A Compositions and methods for antioxidants and anti-inflammatory therapeutics 阿万蒂生物科学股份有限公司 2024-03-29 CN disclosed
WO-2021136805-A1 NOVEL PqsR INVERSE AGONISTS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2021-07-08 WO disclosed
EP-3798214-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2021-03-31 EP disclosed
US-20200370204-A1 PROPERTY MODULATION WITH CHEMICAL TRANSFORMATIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2020-11-26 US disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed
CN-102365255-B Method for producing alcohol compound and catalyst therefor SUMITOMO CHEMICAL CO 2015-01-07 CN disclosed
CN-102365254-B Method for producing alcohol compound SUMITOMO CHEMICAL CO 2014-08-27 CN disclosed
CN-102365255-A Method for producing alcohol compound and catalyst therefor SUMITOMO CHEMICAL CO 2012-02-29 CN disclosed
CN-102365254-A Method for producing alcohol compound SUMITOMO CHEMICAL CO 2012-02-29 CN disclosed
EP-2415741-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 US disclosed
US-20090054629-A1 Inhibitors of Transthyretin Amyloid Fibril Formation THE SCRIPPS RESEARCH INSTITUTE (US) 2009-02-26 US disclosed
CN-101336235-A 1-orthofluorophenyl substituted 1, 2, 5-thiazolidinedione derivatives as ptp-as inhibitors NOVARTIS AG (CH) 2008-12-31 CN disclosed
US-7312361-B2 Inhibitors of transthyretin amyloid fibril formation THE SCRIPPS RESEARCH INSTITUTE (US) 2007-12-25 US disclosed
EP-1848688-A2 INHIBITORS OF TRANSTHYRETIN AMYLOID FIBRIL FORMATION The Scripps Research Institute (US) 2007-10-31 EP disclosed
WO-2006086517-A2 INHIBITORS OF TRANSTHYRETIN AMYLOID FIBRIL FORMATION THE SCRIPPS RESEARCH INSTITUTE (US) 2006-08-17 WO disclosed
US-20060178527-A1 Inhibitors of transthyretin amyloid fibril formation THE SCRIPPS RESEARCH INSTITUTE (US) 2006-08-10 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 (4 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-20090054629-A1 Inhibitors of Transthyretin Amyloid Fibril Formation TTR, TTPA, APOB ALDH1A1 2778/4885TDP1 546/4885SLC6A2 1933/4885
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 ALDH1A1 18/4885TDP1 3832/4885SLC6A2 824/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 ALDH1A1 33/4885TDP1 3331/4885SLC6A2 3005/4885
US-20060178527-A1 Inhibitors of transthyretin amyloid fibril formation TTR, TTPA, APOB ALDH1A1 2778/4885TDP1 546/4885SLC6A2 1933/4885

“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.