SCHEMBL1023733

SCHEMBL1023733

Cc1cccc(CN=C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.47
IDO1 P14902 2/20 0.46
CTBP2 P56545 1/20 0.45
ACHE P22303 1/20 0.42
MIF P14174 2/20 0.42
POLB P06746 2/20 0.40
DAO P14920 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAOB P27338 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
SCHEMBL31158081 1.00 TAAR1 (0.47) TAAR1IDO1CTBP2ACHEMIF
Toluene SCHEMBL28138318 0.89 MIF (0.42) TAAR1CTBP2ACHEMIF
SCHEMBL5465655 0.87 MIF (0.47) TAAR1MIFMEN1KMT2A
SCHEMBL26785 0.87 MIF (0.47) TAAR1MIFMEN1KMT2A
SCHEMBL24587570 0.86 RGS4 (0.48) POLBMEN1KMT2A
Chloromethane SCHEMBL15655633 0.86 MIF (0.43) TAAR1MIFMEN1KMT2A
SCHEMBL22471928 0.85 MIF (0.46) MIFMEN1KMT2A
SCHEMBL28048374 0.85 MIF (0.46) TAAR1MIFMEN1KMT2A
Water SCHEMBL14972890 0.85 MIF (0.46) MIFMEN1KMT2A
SCHEMBL28872903 0.84 MIF (0.49) ACHEMIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117362655-A Epoxy resin-polyurethane-epoxy resin triblock copolymer, preparation method and application thereof, and epoxy resin emulsion 张望清 2024-01-09 CN claimed
CN-117362656-A Polyurethane epoxy comb copolymer emulsion and preparation method and application thereof 张望清 2024-01-09 CN claimed
CN-116533420-A Preparation method of near infrared barrier polyurethane lens 浙江伟星光学股份有限公司 2023-08-04 CN claimed
CN-116478069-A Diurea anti-sagging agent and synthesis method thereof 天津大学 2023-07-25 CN claimed
CN-116239713-A Sagging-resistant resin and preparation method and application thereof 天津大学 2023-06-09 CN claimed
CN-109725073-B Separation and detection method of acetylcysteine enantiomer 湖南华纳大药厂科技开发有限公司 2021-10-15 CN claimed
US-20210171451-A1 DIISOCYANATE COMPOSITION, PREPARATION METHOD THEREOF AND OPTICAL MATERIAL USING SAME WOORI FINE CHEM CO., LTD. (KR) 2021-06-10 US claimed
EP-3831861-A1 DIISOCYANATE COMPOSITION, PREPARATION METHOD THEREOF AND OPTICAL MATERIAL USING SAME SKC Co., Ltd. (KR) 2021-06-09 EP claimed
CN-112920373-A Diisocyanate composition, method for preparing the same, and optical material using the same SKC株式会社 2021-06-08 CN claimed
CN-112391048-A Polyurethane lens with infrared and blue light prevention function and manufacturing method thereof 上海伟星光学有限公司 2021-02-23 CN claimed
CN-106892893-B Method for preparing lactide from lactic acid oligomer 中国科学院长春应用化学研究所 2020-09-25 CN claimed
CN-109776481-A A kind of preparation method of high chemical purity lactide 青岛凯玉盈商贸有限公司 2019-05-21 CN claimed
CN-109725073-A The method for separating and detecting of acetylcysteine enantiomter 湖南华纳大药厂科技开发有限公司 2019-05-07 CN claimed
CN-106810677-B Preparation method, the preparation method of polymer grade lactide of poly-lactic acid in high molecular weight 中国科学院长春应用化学研究所 2019-04-26 CN claimed
US-10092881-B2 Permanent hydrophilic porous coatings and methods of making them BHA ALTAIR, LLC (US) 2018-10-09 US claimed
CN-106892893-A A kind of method that lactic acid oligomer prepares lactide 中国科学院长春应用化学研究所 2017-06-27 CN claimed
CN-106810677-A The preparation method of poly-lactic acid in high molecular weight, the preparation method of polymer grade lactide 中国科学院长春应用化学研究所 2017-06-09 CN claimed
CN-105330640-A Preparation method for high chemical purity lactide CHANGCHUN APPLIED CHEMISTRY 2016-02-17 CN claimed
US-20090191399-A1 PERMANENT HYDROPHILIC POROUS COATINGS ONTO A SUBSTRATE AND POROUS MEMBRANES THEREOF GENERAL ELECTRIC COMPANY (US) 2009-07-30 US claimed
US-20090191398-A1 MEMBRANES COMPRISING HYDROPHILIC COATINGS GENERAL ELECTRIC COMPANY (US) 2009-07-30 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 (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-20210171451-A1 DIISOCYANATE COMPOSITION, PREPARATION METHOD THEREOF AND OPTICAL MATERIAL USING SAME INCENP, IK, ALKBH5 TAAR1 3913/4885IDO1 521/4885CTBP2 643/4885

“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.