SCHEMBL6768508

SCHEMBL6768508

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
DGKA P23743 1/20 0.55
PAM P19021 2/20 0.54
MAPT P10636 1/20 0.47
LMNA P02545 4/20 0.46
ALDH1A1 P00352 2/20 0.46
DNM1 Q05193 1/20 0.46
KDM4E B2RXH2 1/20 0.45
DUSP3 P51452 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
PRKCA P17252 3/20 0.44
PRKCE Q02156 1/20 0.43
PRKCQ Q04759 1/20 0.43
PRKCD Q05655 1/20 0.43

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
SCHEMBL6768507 1.00 TSHR (0.60) TSHRDGKAPAMMAPTLMNA
SCHEMBL3503234 0.84 TSHR (0.66) TSHRDGKAPAMMAPTLMNA
SCHEMBL3505613 0.84 TSHR (0.66) TSHRDGKAPAMMAPTLMNA
SCHEMBL2958192 0.84 TSHR (0.66) TSHRDGKAPAMMAPTLMNA
SCHEMBL2418388 0.82 TSHR (0.62) TSHRDGKAPAMMAPTLMNA
SCHEMBL5668563 0.80 TSHR (0.70) TSHRDGKAPAMMAPTLMNA
SCHEMBL22126642 0.80 TSHR (0.70) TSHRDGKAPAMMAPTLMNA
SCHEMBL20570495 0.80 TSHR (0.70) TSHRDGKAPAMMAPTLMNA
SCHEMBL10411 0.80 TSHR (0.70) TSHRDGKAPAMMAPTLMNA
SCHEMBL22126641 0.80 TSHR (0.70) TSHRDGKAPAMMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-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-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-111484409-B Preparation method of 2-methyl-4-substituted carbonyloxy-2-butenal 新发药业有限公司 2023-05-05 CN disclosed
CN-111484525-B Vitamin A ester intermediate C15 and preparation method of vitamin A ester 新发药业有限公司 2023-01-06 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
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
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
CN-111484525-A Vitamin A ester intermediate C15 and preparation method of vitamin A ester 新发药业有限公司 2020-08-04 CN disclosed
CN-111484409-A Low-cost preparation method of 2-methyl-4-substituted carbonyloxy-2-butenal 新发药业有限公司 2020-08-04 CN disclosed
US-6727381-B2 REACTING PHOSPHONATE COMPOUND WITH ALDEHYDE IN ORGANIC SOLVENT (HEXANE) IN PRESENCE OF A BASE (SODIUM TERT-BUTOXIDE) ZHEJIANG MEDICINE CO., LTD., XINCHANG PHARMACEUTICAL FACTORY (CN) 2004-04-27 US disclosed
US-20020151742-A1 Process for producing vitamin a ester ZHEJIANG MEDICINE CO., LTD. (CN) 2002-10-17 US disclosed
US-5424478-A Process for producing vitamin A derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-06-13 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-20020151742-A1 Process for producing vitamin a ester TTPA, ADH1B, ADH4 TSHR 2055/4885DGKA 902/4885PAM 1027/4885

“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.