SCHEMBL403220

SCHEMBL403220

CCOc1cc(C=O)cc(OC)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 8/20 0.58
ERN1 O75460 2/20 0.50
TRIM24 O15164 1/20 0.50
HPGD P15428 1/20 0.50
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.47

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
SCHEMBL1004449 0.93 KDM4E (0.69) KDM4EALDH1A1TRIM24HPGDALDH5A1
Syringaldehyde SCHEMBL28294707 0.87 ALDH1A1 (0.55) KDM4EALDH1A1ERN1TRIM24HPGD
Syringaldehyde SCHEMBL150376 0.87 ALDH1A1 (0.62) KDM4EALDH1A1ERN1TRIM24HPGD
Syringaldehyde SCHEMBL2110596 0.87 ALDH1A1 (0.62) KDM4EALDH1A1ERN1TRIM24HPGD
Syringaldehyde SCHEMBL30119623 0.87 ALDH1A1 (0.62) KDM4EALDH1A1ERN1TRIM24HPGD
SCHEMBL15567583 0.87 ALOX5 (0.55) KDM4EALDH1A1ERN1TRIM24HPGD
SCHEMBL3576792 0.86 ALDH1A1 (0.67) KDM4EALDH1A1TRIM24HPGDALDH5A1
Syringaldehyde SCHEMBL29724072 0.85 ALDH1A1 (0.60) KDM4EALDH1A1ERN1TRIM24HPGD
Syringaldehyde SCHEMBL28642631 0.85 ALDH1A1 (0.60) KDM4EALDH1A1ERN1TRIM24HPGD
Syringaldehyde SCHEMBL11013780 0.85 ALDH1A1 (0.60) KDM4EALDH1A1ERN1TRIM24HPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2885306-B1 IMIDAZO[2,1]THIAZOL-3-ONE DERIVATIVES USEFUL AS DIAGNOSTIC AGENTS FOR ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2016-06-01 EP disclosed
EP-2885306-A1 IMIDAZO[2,1]THIAZOL-3-ONE DERIVATIVES USEFUL AS DIAGNOSTIC AGENTS FOR ALZHEIMER'S DISEASE F. Hoffmann-La Roche AG (CH) 2015-06-24 EP disclosed
US-20150157739-A1 Imidazo[2,1]thiazol-3-one derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-11 US disclosed
WO-2014026881-A1 IMIDAZO[2,1]THIAZOL-3-ONE DERIVATIVES USEFUL AS DIAGNOSTIC AGENTS FOR ALZHEIMER'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2014-02-20 WO disclosed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
EP-1803452-A1 ESTER DERIVATIVE AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2007-07-04 EP disclosed
EP-1803452-A1 ESTER DERIVATIVE AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2007-07-04 EP disclosed
US-20060089392-A1 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-04-27 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 (2 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-20150157739-A1 Imidazo[2,1]thiazol-3-one derivatives MAPT, SNCA, PARK7 KDM4E 4876/4885ALDH1A1 1911/4885ERN1 2122/4885
US-20060089392-A1 Ester derivatives and medicinal use thereof MTTP, CETP, LIPA KDM4E 2908/4885ALDH1A1 421/4885ERN1 705/4885

“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.