SCHEMBL522380

SCHEMBL522380

CCCCN(C(O)CC)C(O)CC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA9 Q16790 3/20 0.34
ALDH1A1 P00352 3/20 0.34
ALDH2 P05091 1/20 0.34
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
CA2 P00918 1/20 0.32
TSHR P16473 1/20 0.32
DNM1 Q05193 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
SCHEMBL3218807 0.92 DNM1 (0.40) CA12CA1CA9CA2TSHR
SCHEMBL16389819 0.90 DNM1 (0.44) CA12CA1CA9CA2TSHR
SCHEMBL16390433 0.90 DNM1 (0.44) CA12CA1CA9CA2TSHR
SCHEMBL2044039 0.90 DNM1 (0.44) CA12CA1CA9CA2TSHR
SCHEMBL2038182 0.90 DNM1 (0.44) CA12CA1CA9CA2TSHR
SCHEMBL16389859 0.90 DNM1 (0.44) CA12CA1CA9CA2TSHR
SCHEMBL3212062 0.90 DNM1 (0.44) CA12CA1CA9CA2TSHR
SCHEMBL2044642 0.90 DNM1 (0.44) CA12CA1CA9CA2TSHR
SCHEMBL2045369 0.90 DNM1 (0.44) CA12CA1CA9CA2TSHR
SCHEMBL2041540 0.90 DNM1 (0.44) CA12CA1CA9CA2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097476-B1 AMINE NEUTRALIZING AGENTS FOR LOW VOLATILE COMPOUND ORGANIC PAINTS TAMINCO (BE) 2020-04-29 EP claimed
US-10336668-B2 Method for producing cis- and trans-enriched MDACH BASF SE (DE) 2019-07-02 US claimed
EP-3224235-B1 PROCESS FOR THE PREPARATION OF CIS- AND TRANS-ENRICHED MDACH BASF SE (DE) 2018-11-14 EP claimed
US-10113049-B2 Thermoplastic resin composition NIPPON NYUKAZAI CO., LTD. (JP) 2018-10-30 US claimed
US-20170260115-A1 METHOD FOR PRODUCING CIS- AND TRANS-ENRICHED MDACH BASF SE (DE) 2017-09-14 US claimed
US-20150329698-A1 THERMOPLASTIC RESIN COMPOSITION NIPPON NYUKAZAI CO., LTD. (JP) 2015-11-19 US claimed
CN-101578331-B Amine neutralizing agents for low volatile compound organic paints TAMINCO 2012-12-12 CN claimed
US-20100041801-A1 AMINE NEUTRALIZING AGENTS FOR LOW VOLATILE COMPOUND ORGANIC PAINTS TAMINCO NV (BE) 2010-02-18 US claimed
EP-2097476-A1 AMINE NEUTRALIZING AGENTS FOR LOW VOLATILE COMPOUND ORGANIC PAINTS Taminco (BE) 2009-09-09 EP claimed
WO-2008081036-A1 AMINE NEUTRALIZING AGENTS FOR LOW VOLATILE COMPOUND ORGANIC PAINTS TAMINCO (BE) 2008-07-10 WO claimed
US-20080066644-A1 Alkylmines, alkanolamine compounds, surfactants, a coloring agent and a solvent; combination results in decreased kogation SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-03-20 US claimed
EP-1900785-A1 Ink Composition for Inkjet Recording Samsung Electronics Co., Ltd. (KR) 2008-03-19 EP claimed
US-5403689-A Amide functionality XEROX CORPORATION (US) 1995-04-04 US claimed
CN-118355096-A Water-soluble metal processing oil 出光兴产株式会社 2024-07-16 CN disclosed
WO-2024095923-A1 CLEANING LIQUID AND METHOD FOR CLEANING SUBSTRATE 東京応化工業株式会社 2024-05-10 WO disclosed
CN-109789065-B Cosmetic composition for combating colour loss of dyed material 因诺斯佩克有限公司 2023-11-21 CN disclosed
US-5459197-A Polyurethanes for protective coatings on substrates BAYER AKTIENGESELLSCHAFT (DE) 1995-10-17 US disclosed
US-5403689-A Amide functionality XEROX CORPORATION (US) 1995-04-04 US disclosed
EP-0554747-A2 Coatings, process for their preparation and their use for the preparation of coatings BAYER AG (DE) 1993-08-11 EP disclosed
EP-0483406-A1 A magnetic recording medium DAINICHISEIKA COLOR & CHEMICALS MFG. CO. LTD. (JP) 1992-05-06 EP 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-20170260115-A1 METHOD FOR PRODUCING CIS- AND TRANS-ENRICHED MDACH ADH1C, MDH1, DNMT1 CA12 1549/4885CA1 958/4885CA9 3003/4885
US-10336668-B2 Method for producing cis- and trans-enriched MDACH ADH1C, MDH1, DNMT1 CA12 1549/4885CA1 958/4885CA9 3003/4885

“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.