SCHEMBL1634880

SCHEMBL1634880

O=C(CC(Cl)(Cl)Cl)OC(=O)CC(Cl)(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30

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
Sulfuric Acid SCHEMBL5274829 0.89 CA1 (0.31)
SCHEMBL11526564 0.89 ALDH1A1 (0.40) ALDH1A1
SCHEMBL1634881 0.84 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL374737 0.79
SCHEMBL23132669 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL678682 0.77
SCHEMBL27627850 0.77
SCHEMBL11124619 0.77
SCHEMBL27568817 0.77
SCHEMBL27667850 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102507705-A Method for determining agomelatine content CHENGDU XINJIE HI TECH DEV CO LTD 2012-06-20 CN claimed
JP-58025325-A None JP disclosed
US-8518992-B2 Method of synthesis and purification of N-6-trimethyl-L-lysine and derivative compounds CHEMGENES CORPORATION 2013-08-27 US disclosed
CN-102507705-A Method for determining agomelatine content CHENGDU XINJIE HI TECH DEV CO LTD 2012-06-20 CN disclosed
CN-102507705-A Method for determining agomelatine content CHENGDU XINJIE HI TECH DEV CO LTD 2012-06-20 CN disclosed
US-20110166379-A1 Method of synthesis and purification of N-6-Trimethyl-L-Lysine and derivative compounds CHEMGENES CORPORATION 2011-07-07 US disclosed
US-7932287-B2 Therapeutic compositions and uses CHEMGENES CORPORATION (US) 2011-04-26 US disclosed
US-20080011438-A1 CELLULOSIC PRODUCT AND PROCESS FOR ITS PRODUCTION AKZO NOBEL N.V. (NL) 2008-01-17 US disclosed
US-7303654-B2 Cellulosic product and process for its production AKZO NOBEL N.V. (NL) 2007-12-04 US disclosed
US-20060035972-A1 Therapeutic compositions and uses CHEMGENES CORPORATION 2006-02-16 US disclosed
EP-1581697-A1 CELLULOSIC PRODUCT AND PROCESS FOR ITS PRODUCTION Akzo Nobel N.V. (NL) 2005-10-05 EP disclosed
US-20040140074-A1 Cellulosic product and process for its production AKZO NOBEL N.V. (NL) 2004-07-22 US disclosed
WO-2004046464-A1 CELLULOSIC PRODUCT AND PROCESS FOR ITS PRODUCTION AKZO NOBEL N.V. (NL) 2004-06-03 WO disclosed
US-5037508-A Adsorption of pitch in papermaking J. M. HUBER CORPORATION (US) 1991-08-06 US disclosed
US-4927465-A ABSORBERS J. M. HUBER CORPORATION 1990-05-22 US disclosed
WO-1989003863-A1 CATIONIC CLAYS AND USES IN PAPER AND PAINTS J.M. HUBER CORPORATION (US) 1989-05-05 WO disclosed
JP-S5825325-A CURING AGENT FOR EPOXY RESIN OKAMURA SEIYU KK 1983-02-15 JP disclosed
US-4151199-A ANTI-THROMBOTIC AGENTS LILLY INDUSTRIES LIMITED (GB) 1979-04-24 US disclosed
US-4100350-A 3-Substituted propanoic acid derivatives LILLY INDUSTRIES LTD. (GB) 1978-07-11 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-20110166379-A1 Method of synthesis and purification of N-6-Trimethyl-L-Lysine and derivative compounds CLN6, LCLAT1, LPCAT3 ALDH1A1 2776/4885TP53 4842/4885TSHR 3743/4885
US-20060035972-A1 Therapeutic compositions and uses JMJD6, KDM6A, AADAT ALDH1A1 674/4885TP53 1547/4885TSHR 3482/4885

“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.