SCHEMBL6054552

SCHEMBL6054552

[CH2]OCCOc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.64
ALDH1A1 P00352 2/20 0.56
TAAR1 Q96RJ0 1/20 0.56
RECQL P46063 1/20 0.56
PKM P14618 2/20 0.52
HTR1B P28222 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL8362747 0.88 KCNA3 (0.68) KCNA3ALDH1A1TAAR1RECQLHTR1B
Ethylene SCHEMBL29058163 0.87 KCNA3 (0.74) KCNA3ALDH1A1TAAR1RECQLPKM
SCHEMBL27962 0.87 KCNA3 (0.82) KCNA3ALDH1A1TAAR1RECQLPKM
SCHEMBL5067163 0.79 KCNA3 (0.70) KCNA3ALDH1A1TAAR1RECQLPKM
SCHEMBL10452423 0.79 KCNA3 (0.70) KCNA3ALDH1A1TAAR1RECQLPKM
SCHEMBL466750 0.79 KCNA3 (0.70) KCNA3ALDH1A1TAAR1RECQLPKM
SCHEMBL2481801 0.79 KCNA3 (0.70) KCNA3ALDH1A1TAAR1RECQLPKM
SCHEMBL11087417 0.79 KCNA3 (0.70) KCNA3ALDH1A1TAAR1RECQLPKM
SCHEMBL148066 0.79 KCNA3 (0.70) KCNA3ALDH1A1TAAR1RECQLPKM
SCHEMBL9770391 0.79 KCNA3 (0.70) KCNA3ALDH1A1TAAR1RECQLPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113620945-A RET inhibitor, pharmaceutical composition thereof and application thereof in medicines 广东东阳光药业有限公司 2021-11-09 CN claimed
US-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US claimed
EP-0400519-A1 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them Dr. Karl Thomae GmbH (DE) 1990-12-05 EP claimed
US-4225706-A Polychalcogen ester of cephem compound, process for preparing the same and method for removing the protective group of the same MEIJI SEIKA KAISHA LTD. (JP) 1980-09-30 US claimed
CN-113620945-A RET inhibitor, pharmaceutical composition thereof and application thereof in medicines 广东东阳光药业有限公司 2021-11-09 CN disclosed
US-7122499-B2 Osmium oxide carried by hydrophilic polymer Kobayashi, Shu (JP) 2006-10-17 US disclosed
US-20040092779-A1 Comprising aromatic polyolefin having oxyalkyleneoxyaryl group; solvent and heat resistance; handling WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2004-05-13 US disclosed
EP-1366814-A1 OSMIUM OXIDE DEPOSITED ON HYDROPHILIC POLYMER SUPPORT Wako Pure Chemical Industries, Ltd. (JP) 2003-12-03 EP disclosed
US-5942522-A 1-BENZYL-3-ETHOXYCARBONYL-4-DIMETHYLAMINOETHOXY-6-METHYL-2-(1H) -QUINOLINONE; ANTIVIRAL AGAINST DNA CONTAINING VIRUSES, SUCH AS HERPES GROUP VIRUSES SCHERING CORPORATION (US) 1999-08-24 US disclosed
US-5700938-A Intermediates for imidazopyridine derivatives EISAI CO., LTD. (JP) 1997-12-23 US disclosed
EP-0549729-B1 ANTIVIRAL COMPOUNDS AND ANTIHYPERTENSIVE COMPOUNDS SCHERING CORP (US) 1997-12-17 EP disclosed
US-5618969-A Intermediates for imidazopyridines EISAI CO., LTD. (JP) 1997-04-08 US disclosed
US-5175151-A Useful for treating herpes group viruses SCHERING CORPORATION (US) 1992-12-29 US disclosed
US-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed
WO-1992004328-A1 ANTIVIRAL COMPOUNDS AND ANTIHYPERTENSIVE COMPOUNDS SCHERING CORPORATION (US) 1992-03-19 WO disclosed
WO-1992004326-A1 ANTIVIRAL COMPOUNDS SCHERING CORPORATION (US) 1992-03-19 WO disclosed
WO-1992004327-A1 ANTIVIRAL COMPOUNDS AND ANTIHYPERTENSIVE COMPOUNDS SCHERING CORPORATION (US) 1992-03-19 WO disclosed
EP-0400519-A1 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them Dr. Karl Thomae GmbH (DE) 1990-12-05 EP disclosed
EP-0102324-A2 Lipids and surfactants in an aqueous medium CIBA-GEIGY AG (CH) 1984-03-07 EP disclosed
US-4225706-A Polychalcogen ester of cephem compound, process for preparing the same and method for removing the protective group of the same MEIJI SEIKA KAISHA LTD. (JP) 1980-09-30 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-20040092779-A1 Comprising aromatic polyolefin having oxyalkyleneoxyaryl group; solvent and heat resistance; handling OXER1, OXGR1, AOC2 KCNA3 1377/4885ALDH1A1 55/4885TAAR1 76/4885

“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.