SCHEMBL3136770

SCHEMBL3136770

CC1=C(C#C/C(C)=C/CO)C(C)(C)CC(O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
FFAR1 O14842 1/20 0.30

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
SCHEMBL3136775 1.00 MAPT (0.39) MAPTFFAR1
SCHEMBL3131652 0.86
SCHEMBL3131655 0.86
SCHEMBL3136008 0.82
SCHEMBL17243976 0.78 MAPT (0.40) MAPT
SCHEMBL11432417 0.78 FFAR1 (0.32) FFAR1
SCHEMBL2837999 0.78 MAPT (0.61) MAPT
SCHEMBL30002204 0.78 MAPT (0.61) MAPT
SCHEMBL3134621 0.76 ALOX15 (0.31) FFAR1
SCHEMBL3134617 0.76 ALOX15 (0.31) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864045-B1 Use of a Lindlar type catalyst for the partial hydrogenation of 6-hydroxy-3-(5-hydroxy-3-methyl-pent-3-in-1-ynyl)-2,4,4-trimethylcyclohex-2-enone DSM IP ASSETS BV (NL) 2020-08-26 EP disclosed
WO-2018015525-A1 6-HYDROXY-3-[3-HYDROXY-3-METHYL-PENTA-1,4-DIENYL]-2,4,4-TRIMETHYL-CYCLOHEXA-2,5-DIEN-1-ONE BASF SE (DE) 2018-01-25 WO disclosed
EP-1697388-B1 METHOD FOR PRODUCING PHOSPHONIUM SALTS BASF SE (DE) 2010-07-21 EP disclosed
US-7547807-B2 Method for producing phosphonium salts BASF SE (DE) 2009-06-16 US disclosed
US-20070219383-A1 Method for Reducing Alkyne Compuonds BASF AKTIENGESELLSCHAFT (DE) 2007-09-20 US disclosed
US-20070123726-A1 Method for producing phosphonium salts BASF AKTIENGESELLSCHAFT PATENTS, TRADEMARKS AND LICENSES (DE) 2007-05-31 US disclosed
EP-1697388-A1 METHOD FOR PRODUCING PHOSPHONIUM SALTS BASF AKTIENGESELLSCHAFT (DE) 2006-09-06 EP disclosed
WO-2005058924-A1 METHOD FOR PRODUCING PHOSPHONIUM SALTS BASF AKTIENGESELLSCHAFT (DE) 2005-06-30 WO disclosed
US-5625099-A Preparation of astaxanthin, novel intermediates therefor and the preparation thereof ERNST HANSGEORG (DE) 1997-04-29 US disclosed
US-5455362-A Preparation of astaxanthin novel intermediates therefor and the preparation thereof BASF AKTIENGESELLSCHAFT (DE) 1995-10-03 US disclosed
US-4283559-A Process for the manufacture of cyclohexene derivatives HOFFMANN-LA ROCHE INC. (US) 1981-08-11 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 (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-20070123726-A1 Method for producing phosphonium salts PHOSPHO1, PLIN5, SQLE MAPT 3742/4885FFAR1 698/4885
US-20070219383-A1 Method for Reducing Alkyne Compuonds C9, C1S, C5 MAPT 4742/4885FFAR1 3463/4885

“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.