SCHEMBL6562718

SCHEMBL6562718

O=COC1CCCCC1.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ADH1A P07327 8/20 0.35
ADH1C P00326 6/20 0.35
ADH1B P00325 4/20 0.35
ADH4 P08319 2/20 0.35
EPHX1 P07099 2/20 0.32
ACHE P22303 1/20 0.32
ADH7 P40394 2/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 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
SCHEMBL93216 0.97 CA1 (0.39) CA1CA2ADH1AADH1CADH1B
SCHEMBL2108204 0.97 CA1 (0.39) CA1CA2ADH1AADH1CADH1B
SCHEMBL8568492 0.97
SCHEMBL93205 0.97 CA1 (0.39) CA1CA2ADH1AADH1CADH1B
SCHEMBL2109541 0.97 CA1 (0.39) CA1CA2ADH1AADH1CADH1B
SCHEMBL9432 0.97
SCHEMBL2109558 0.97 CA1 (0.39) CA1CA2ADH1AADH1CADH1B
SCHEMBL2109114 0.97 CA1 (0.39) CA1CA2ADH1AADH1CADH1B
SCHEMBL93455 0.97 CA1 (0.39) CA1CA2ADH1AADH1CADH1B
SCHEMBL3627527 0.97 CA1 (0.39) CA1CA2ADH1AADH1CADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109651129-A A kind of 4- isopropyl cyclohexanecarboxylic acid turns structure and separation method along anti-mixture 浙江清和新材料科技有限公司 2019-04-19 CN disclosed
CN-1803914-B Polypropylene resin composition and formed article SUMITOMO CHEMICAL CO 2011-08-03 CN disclosed
CN-1803914-A Polypropylene resin composition and formed article SUMITOMO CHEMICAL CO (JP) 2006-07-19 CN disclosed
US-20040062773-A1 Compositions for the delivery of antigens EMISPHERE TECHNOLOGIES INC. 2004-04-01 US disclosed
EP-0784469-B1 COMPOSITIONS FOR THE DELIVERY OF ANTIGENS EMISPHERE TECH INC (US) 2004-03-24 EP disclosed
US-6610329-B2 Using acylated amino acid as carrier EMISPHERE TECHNOLOGIES INC. 2003-08-26 US disclosed
US-20020001591-A1 Compositions for the delivery of antigens EMISPHERE TECHNOLOGIES, INC. 2002-01-03 US disclosed
US-5958457-A MIXTURES OF ANTIGENS WITH ADJUVANTS AND ACYLATED AMINO ACIDS OR SALTS, POLYMERS OR SULFONATED AMINO ACIDS EMISPHERE TECHNOLOGIES, INC. (US) 1999-09-28 US disclosed
EP-0784469-A4 COMPOSITIONS FOR THE DELIVERY OF ANTIGENS EMISPHERE TECH INC (US) 1999-03-24 EP disclosed
US-5840704-A INSECTICIDES, MITICIDES, ANTHELMINTICS PFIZER INC. (US) 1998-11-24 US disclosed
EP-0784469-A1 COMPOSITIONS FOR THE DELIVERY OF ANTIGENS Emisphere Technologies, Inc. (US) 1997-07-23 EP disclosed
WO-1996019920-A1 COMPOSITIONS FOR TREATING NEMATODE INFECTIONS IN TREES PFIZER PHARMACEUTICALS INC. (JP) 1996-07-04 WO disclosed
WO-1996012474-A1 COMPOSITIONS FOR THE DELIVERY OF ANTIGENS EMISPHERE TECHNOLOGIES, INC. (US) 1996-05-02 WO disclosed
US-5451511-A Biosynthesis, avermectins PFIZER INC. (US) 1995-09-19 US disclosed
US-5089480-A ANTIPARASITIC AGENTS PFIZER INC. (US) 1992-02-18 US disclosed
EP-0214731-A2 Antiparasitic avermectin and milbemycin derivatives and process for their preparation Pfizer Limited (GB) 1987-03-18 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-20020001591-A1 Compositions for the delivery of antigens CD47, CD74, LY96 CA1 111/4885CA2 455/4885ADH1A 4553/4885
US-20040062773-A1 Compositions for the delivery of antigens CD47, CD74, LY96 CA1 111/4885CA2 455/4885ADH1A 4553/4885

“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.