SCHEMBL903004

SCHEMBL903004

[CH2]CC(C)(C)NC(=O)C=C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TSHR P16473 3/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
GAA P10253 1/20 0.32
TGM2 P21980 1/20 0.31

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
SCHEMBL19860763 0.84 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL7612005 0.82 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL460924 0.82 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL35470 0.80 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL35674 0.80 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL28949902 0.80 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL36167 0.80 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL9252889 0.80 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL35505 0.80 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL2161111 0.80 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114106853-B Hyperbranched surfactant and preparation method thereof 宁波锋成先进能源材料研究院有限公司 2023-03-07 CN claimed
CN-114106853-A Hyperbranched surfactant and preparation method thereof 宁波锋成先进能源材料研究院有限公司 2022-03-01 CN claimed
CN-104452455-B The method that paper making auxiliary agent composition and increase are stayed at paper ash code insurance 艺康美国股份有限公司 2019-04-05 CN claimed
EP-4192239-A1 ANTI-MICROBIAL COMPOSITION Byotrol PLC (GB) 2023-06-14 EP disclosed
EP-3500102-B1 ANTI-MICROBIAL COMPOSITION BYOTROL PLC (GB) 2023-06-07 EP disclosed
CN-114106853-B Hyperbranched surfactant and preparation method thereof 宁波锋成先进能源材料研究院有限公司 2023-03-07 CN disclosed
CN-115023478-A Polishing composition 日本瓦姆&珀巴尔株式会社 2022-09-06 CN disclosed
CN-114106853-A Hyperbranched surfactant and preparation method thereof 宁波锋成先进能源材料研究院有限公司 2022-03-01 CN disclosed
EP-2938782-B1 METHOD OF INCREASING PAPER SURFACE STRENGTH BY USING ACRYLIC ACID/ACRYLAMIDE COPOLYMER IN A SIZE PRESS FORMULATION CONTAINING STARCH ECOLAB USA INC (US) 2021-09-08 EP disclosed
EP-3500102-A1 ANTI-MICROBIAL COMPOSITION Byotrol PLC (GB) 2019-06-26 EP disclosed
US-20180343857-A1 BIOSOLUBILIZER SOLIANCE (FR) 2018-12-06 US disclosed
US-6846798-B2 Polyalkoxylated terpenic compounds, their process of preparation and their use as defoaming agents RHODIA CHIMIE (FR) 2005-01-25 US disclosed
US-6579837-B1 Detergent based on polyoxyethylene glycol and polyethylene terephthalate RHODIA CHIMIE (FR) 2003-06-17 US disclosed
US-6569261-B1 Formed via catalytic polymerization; for cleaning windows, bathroom fixtures, tiling, and ceramics in automatic washers; corrosion resistance RHODIA CHIMIE (FR) 2003-05-27 US disclosed
US-20030054972-A1 Polyalkoxylated terpenic compounds, their process of preparation and their use as defoaming agents JOYE JEAN-LUC (US) 2003-03-20 US disclosed
EP-1233994-A2 COMPOSITION FOR CLEANING CARPETS, CURTAINS AND COVERING FABRICS AND/OR FOR FACILITATING THE REMOVAL OF STAINS Rhodia, Inc. (US) 2002-08-28 EP disclosed
US-20020035052-A1 Polyalkoxylated terpenic compounds, their process of preparation and their use as defoaming agents JOYE JEAN-LUC (US) 2002-03-21 US disclosed
US-6300296-B1 LIQUID DETERGENT FOR DISHES OR TEXTILES WITH FOAMING AGENTS FOR GREASE RHODIA CHIMIE (FR) 2001-10-09 US disclosed
WO-2001038467-A2 COMPOSITION FOR CLEANING CARPETS, CURTAINS AND COVERING FABRICS AND/OR FOR FACILITATING THE REMOVAL OF STAINS RHODIA, INC. (US) 2001-05-31 WO disclosed
US-5710211-A REACTION OF POLYMER WITH COMPOUND HAVING A THIOL OR THIOESTER AND HYDROLYSIS TO FORM VINYL ALCOHOL KURARAY CO., LTD. (JP) 1998-01-20 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 (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-20180343857-A1 BIOSOLUBILIZER CUTA, SLK, MGLL ALDH1A1 2536/4885CYP3A4 2890/4885CYP2C9 1971/4885

“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.