SCHEMBL1047290

SCHEMBL1047290

[CH2]Oc1cc(C)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 5/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 2/20 0.39
HPGD P15428 2/20 0.39
TTR P02766 1/20 0.39
CYP2C8 P10632 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA1A P35348 1/20 0.39
PPARG P37231 1/20 0.39
HTR2B P41595 1/20 0.39
PPARA Q07869 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
CISD1 Q9NZ45 1/20 0.39

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
SCHEMBL4813842 0.80 ACHE (0.46) ACHETSHRTDP1ALDH1A1CYP2C9
SCHEMBL1044925 0.80 ACHE (0.46) ACHETSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL3278966 0.79 ACHE (0.50) ACHETSHRTDP1ALDH1A1CYP2C9
SCHEMBL92174 0.77 ACHE (0.68) ACHETSHRTDP1ALDH1A1CYP2C9
SCHEMBL30167567 0.77 ACHE (0.68) ACHETSHRTDP1ALDH1A1CYP2C9
SCHEMBL10664481 0.76 ACHE (0.48) ACHETDP1ALDH1A1CYP2C9LMNA
Formaldehyde SCHEMBL27962744 0.76 ACHE (0.60) ACHETSHRTDP1ALDH1A1CYP2C9
SCHEMBL3288769 0.75 ACHE (0.46) ACHETSHRTDP1ALDH1A1CYP2C9
SCHEMBL7923034 0.75 ACHE (0.46) ACHETSHRTDP1ALDH1A1CYP2C9
SCHEMBL14521443 0.75 ACHE (0.46) ACHETSHRTDP1ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2154123-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2013-10-23 EP claimed
US-7851659-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-14 US claimed
US-20100234645-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 US claimed
EP-2154123-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-17 EP claimed
US-20030130290-A1 Fungicidal combinations comprising thieno[2,3-d]pyrimidin-4-one MULLER KASPAR (CH) 2003-07-10 US claimed
EP-1006795-B1 FUNGICIDAL COMBINATIONS COMPRISING PHENYLACRYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2003-03-19 EP claimed
US-20020035038-A1 Fungicidal combinations comprising thieno[2,3-d]pyrimidin-4-one WALTER HARALD (CH) 2002-03-21 US claimed
EP-1124422-A1 FUNGICIDAL COMBINATIONS COMPRISING THIENO[2,3-d]PYRIMIDIN-4-ONE Syngenta Participations AG (CH) 2001-08-22 EP claimed
EP-0863702-B1 FUNGICIDAL MIXTURE BASF AG (DE) 2001-08-16 EP claimed
US-6235684-B1 SYNERGISTIC MIXTURE NOVARTIS CROP PROTECTION, INC. 2001-05-22 US claimed
EP-0741693-B1 PROCESS FOR THE PREPARATION OF ARYLACETIC ESTER DERIVATIVES VIA PALLADIUM-CATALYZED CROSS COUPLING REACTION NOVARTIS AG (CH) 1999-03-24 EP claimed
WO-1999011125-A1 FUNGICIDAL COMBINATIONS COMPRISING PHENYLACRYLIC ACID DERIVATIVES NOVARTIS AG (CH) 1999-03-11 WO claimed
US-5726343-A REACTION OF A BORONIC ACID COMPOUND WITH A METHOXYIMINOACETIC ESTER, INSECTICIDES, MICROBIOCIDES NOVARTIS CORPORATION (US) 1998-03-10 US claimed
EP-0547825-B1 Process for producing alpha-ketoamide derivative SHIONOGI & CO (JP) 1997-09-03 EP claimed
EP-0741693-A1 PROCESS FOR THE PREPARATION OF ARYLACETIC ESTER DERIVATIVES VIA PALLADIUM-CATALYZED CROSS COUPLING REACTION Novartis AG (CH) 1996-11-13 EP claimed
WO-1995020569-A1 PROCESS FOR THE PREPARATION OF ARYLACETIC ESTER DERIVATIVES VIA PALLADIUM-CATALYZED CROSS COUPLING REACTION CIBA-GEIGY AG (CH) 1995-08-03 WO claimed
US-5414122-A Process for producing alpha-ketoamide derivative SHIONOGI & CO., LTD. (JP) 1995-05-09 US claimed
US-5258551-A Amidation of benzoyl halide derivative with organic isocyanide; fungicide intermediates SHIONOGI & CO., LTD. (JP) 1993-11-02 US claimed
EP-0547825-A2 Process for producing alpha-ketoamide derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-06-23 EP claimed
US-4707161-A Lightfastness of dyeings obtained with acid dyes or metal complex dyes on polyamides: treatment with copper hydroxamates BASF AKTIENGESELLSCHAFT (DE) 1987-11-17 US claimed

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-20020035038-A1 Fungicidal combinations comprising thieno[2,3-d]pyrimidin-4-one MANBA, TPMT, TH ACHE 2460/4885TSHR 2069/4885TDP1 3187/4885
US-20030130290-A1 Fungicidal combinations comprising thieno[2,3-d]pyrimidin-4-one MANBA, TPMT, DDT ACHE 2216/4885TSHR 1684/4885TDP1 3681/4885
US-20100234645-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, NQO2, NDUFC2 ACHE 1005/4885TSHR 2696/4885TDP1 2422/4885

“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.