SCHEMBL534787

SCHEMBL534787

[CH2]COc1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
GLA P06280 1/20 0.52
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
SCN4A P35499 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALOX15 P16050 1/20 0.46
NPC1 O15118 2/20 0.44
TSHR P16473 2/20 0.44
RAB9A P51151 2/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
HPGD P15428 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
NOTUM Q6P988 1/20 0.44
AOC2 O75106 1/20 0.44

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
SCHEMBL11124120 0.83 ALDH1A1 (0.46) ALDH1A1GLAKDM4ECYP1A2SCN4A
SCHEMBL293595 0.82 HTR1B (0.56) ALDH1A1KDM4ETDP1ALOX15TSHR
SCHEMBL73523 0.82 TDP1 (0.53) ALDH1A1GLAKDM4ECYP1A2SCN4A
SCHEMBL9584860 0.82 KDM4E (0.46) ALDH1A1GLAKDM4ECYP1A2TDP1
SCHEMBL11129324 0.81 TDP1 (0.49) ALDH1A1GLAKDM4ECYP1A2TDP1
SCHEMBL11101036 0.80 CYP2D6 (0.54) ALDH1A1GLAKDM4ECYP1A2TDP1
SCHEMBL1592876 0.80 TDP1 (0.60) ALDH1A1GLAKDM4ECYP1A2SCN4A
SCHEMBL9808080 0.78 ALDH1A1 (0.62) ALDH1A1GLAKDM4ECYP1A2TDP1
SCHEMBL11679951 0.78 CYP2D6 (0.61) ALDH1A1GLAKDM4ECYP1A2TDP1
SCHEMBL2090885 0.78 ALDH1A1 (0.53) ALDH1A1GLAKDM4ECYP1A2SCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063093-B2 Derivatives of 5-(halo)alkanoyl-6-hydroxy- benozofuran, benzothiophene, or indole; autoimmune diseases; systemic lupus erythematosis, rheumatoid arthritis, multiple sclerosis and psoriasis, transplant rejection; antiproliferative, anticarcinogenic, antidiabetic, antiinflammatory and antiulcer agents HARVEY ANDREW J (AU) 2011-11-22 US claimed
US-20080221194-A1 Novel Potassium channel Blockers and Uses Thereof HARVEY ANDREW J 2008-09-11 US claimed
CN-101230049-A Hydroxamic acid histone deacetylase inhibitor as well as preparation method and use thereof UNIV CHINA PHARMA (CN) 2008-07-30 CN claimed
WO-2006096911-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF HARVEY ANDREW J (AU) 2006-09-21 WO claimed
US-4379788-A HYPOTENSIVES, ANTIARRHYTHMIA, B-BLOCKERS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-04-12 US claimed
US-4252716-A BLUE SHADES BAYER AKTIENGESELLSCHAFT (DE) 1981-02-24 US claimed
US-3991042-A Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 US claimed
CN-112400002-B Adhesive composition and adhesive tape 综研化学株式会社 2022-10-11 CN disclosed
CN-115073661-A Resin composition and display device using same 三星显示有限公司 2022-09-20 CN disclosed
CN-111742022-B Double-sided adhesive sheet and use thereof 综研化学株式会社 2022-04-12 CN disclosed
CN-112400002-A Adhesive composition and adhesive tape 综研化学株式会社 2021-02-23 CN disclosed
CN-111742022-A Double-sided adhesive sheet and use thereof 综研化学株式会社 2020-10-02 CN disclosed
WO-2020027180-A1 ADHESIVE AGENT COMPOSITION AND ADHESIVE TAPE 綜研化学株式会社 2020-02-06 WO disclosed
US-4154945-A Fungicidal substituted imidazoles THE BOOTS COMPANY LIMITED (GB) 1979-05-15 US disclosed
US-4080462-A Fungicidal compositions containing substituted imidazoles THE BOOTS COMPANY LIMITED (EN) 1978-03-21 US disclosed
US-4075163-A STABILIZATION SANDOZ LTD. (CH) 1978-02-21 US disclosed
US-4045416-A PROTECTIVE COATINGS UNION CARBIDE CORPORATION (US) 1977-08-30 US disclosed
US-3963771-A PROTECTIVE COATINGS UNION CARBIDE CORPORATION (US) 1976-06-15 US disclosed
US-3962175-A BENZENE PHOSPHONOUS ACID COMPOUNDS, THEIR PRODUCTION AND USE AS STABILIZERS FOR ORGANIC MATERIALS SANDOZ LTD. (CH) 1976-06-08 US disclosed
US-3954847-A STABILIZERS SANDOZ LTD. (CH) 1976-05-04 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 (1 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-20080221194-A1 Novel Potassium channel Blockers and Uses Thereof KCNAB1, KCNB1, KCNMB1 ALDH1A1 982/4885GLA 3422/4885KDM4E 971/4885

“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.