SCHEMBL9987191

SCHEMBL9987191

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nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL28304615 0.73
SCHEMBL1726899 0.69
Pivalate SCHEMBL27882884 0.69 ALDH1A1 (0.44) ALDH1A1TSHRL3MBTL1
Benzene SCHEMBL9706847 0.69 SMN1; SMN2 (0.38) ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL4593126 0.67 MAPT (0.31) ALDH1A1
SCHEMBL9244267 0.67
SCHEMBL27847630 0.67 MAPT (0.31) ALDH1A1
SCHEMBL28609557 0.67
SCHEMBL27957123 0.67
Pivalate SCHEMBL28392338 0.66 ALDH1A1 (0.47) ALDH1A1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094919-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-04-01 US disclosed
WO-2021057832-A1 KRAS MUTANT PROTEIN INHIBITOR JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-04-01 WO disclosed
CN-103483231-B Method for synthesizing alliin with optical activity and reaction device thereof UNIV JINAN 2015-07-08 CN disclosed
US-8785167-B2 Biocompatible article for the treatment of water and production of energy THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-22 US disclosed
CN-103483231-A Method for synthesizing alliin with optical activity and reaction device thereof UNIV JINAN 2014-01-01 CN disclosed
CN-101669617-B Natural beef flavor TIANJIN CHUNFA BIO TECH GROUP 2012-10-03 CN disclosed
US-20110294159-A1 Biocompatible Article for the Treatment of Water and Production of Energy JOHNS HOPKINS UNIVERSITY 2011-12-01 US disclosed
CN-101669617-A Natural beef flavor TIANJIN CHUNFA FOOD ADDITIVES 2010-03-17 CN disclosed
CN-1789414-A Immobilized microorganism for biomass fermentation and hydrogen production and preparation method thereof UNIV YUNNAN NORMAL (CN) 2006-06-21 CN disclosed
CN-1699337-A Ambroxol cysteine analogs and their preparation process and use thereof JIANGSU HANSOH PHARMACEUTICAL (CN) 2005-11-23 CN disclosed
CN-1546042-A Freeze dried preparation of diammonium glycyrrhizinate and its preparation 天津市资福医药科技开发有限公司 2004-11-17 CN disclosed
CN-1544036-A Speckle removing and whitening traditional medicinal healthy product and its preparation 刘贤英 2004-11-10 CN 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-20210094919-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC ALDH1A1 4345/4885TSHR 4140/4885L3MBTL1 1760/4885

“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.