SCHEMBL2958192

SCHEMBL2958192

CCCCCCCCCCCCCCCC(=O)OCC=C(C)C

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
DGKA P23743 2/20 0.60
PAM P19021 2/20 0.55
MAPT P10636 1/20 0.51
LMNA P02545 4/20 0.50
DNM1 Q05193 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 1/20 0.49
DUSP3 P51452 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PRKCA P17252 3/20 0.47
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCD Q05655 1/20 0.46

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
SCHEMBL3503234 1.00 TSHR (0.66) TSHRDGKAPAMMAPTLMNA
SCHEMBL3505613 1.00 TSHR (0.66) TSHRDGKAPAMMAPTLMNA
SCHEMBL2418388 0.98 TSHR (0.62) TSHRDGKAPAMMAPTLMNA
SCHEMBL581108 0.87 ALDH1A1 (0.61) TSHRDGKAALDH1A1
SCHEMBL4055143 0.87 ALDH1A1 (0.61) TSHRDGKAALDH1A1
SCHEMBL581109 0.87 ALDH1A1 (0.61) TSHRDGKAALDH1A1
SCHEMBL1054427 0.87 ALDH1A1 (0.61) TSHRDGKAALDH1A1
SCHEMBL3503715 0.87 ALDH1A1 (0.61) TSHRDGKAALDH1A1
SCHEMBL7707401 0.87 ALDH1A1 (0.61) TSHRDGKAALDH1A1
SCHEMBL756947 0.87 ALDH1A1 (0.61) TSHRDGKAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112624920-A Synthesis method of 4-palmitoyloxy-2-methyl-2-butenal and synthesis method of vitamin A palmitate 北京藏卫信康医药研发有限公司 2021-04-09 CN claimed
CN-112624920-B Synthesis method of 4-palmitoyloxy-2-methyl-2-butenal and synthesis method of vitamin A palmitate 北京藏卫信康医药研发有限公司 2023-08-29 CN disclosed
CN-111484407-B Preparation method of 1-halogenated-2-methyl-4-substituted carbonyloxy-2-butene 新发药业有限公司 2023-04-07 CN disclosed
CN-112624920-A Synthesis method of 4-palmitoyloxy-2-methyl-2-butenal and synthesis method of vitamin A palmitate 北京藏卫信康医药研发有限公司 2021-04-09 CN disclosed
US-7767852-B2 Removal by salt formation BASF AKTIENGESELLSCHAFT (DE) 2010-08-03 US disclosed
US-20080083606-A1 preparing aminodihalophosphines, diaminohalophosphines, triaminophosphines, phosphorous ester diamides, aminophosphines, diaminophosphines, phosphorous ester amide halides and aminophosphine halides with elimination of an acid in the presence of an auxiliary base BASF AKTIENGESELLSCHAFT (DE) 2008-04-10 US disclosed
US-7351339-B2 Using an auxiliary base to form a salt with the acid which is liquid at low enough temperature so that value product does not decompose during the removal of the liquid salt; e.g. acid catalyst removal; ionic liquids BASF AKTIENGESELLSCHAFT (DE) 2008-04-01 US disclosed
US-20050020857-A1 Removal by salt formation BASF AKTIENGESELLSCHAFT (DE) 2005-01-27 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-20050020857-A1 Removal by salt formation PHOSPHO1, AASDHPPT, INPP5B TSHR 1936/4885DGKA 320/4885PAM 932/4885

“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.