SCHEMBL1921709

SCHEMBL1921709

CC1CCC(C)C(C=O)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
EPHX1 P07099 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL18393909 0.87 TRPA1 (0.36) TRPA1TRPM8EPHX1L3MBTL1
SCHEMBL18393825 0.87
SCHEMBL3793233 0.80 TRPA1 (0.32) TRPA1TRPM8EPHX1L3MBTL1
SCHEMBL1784623 0.79
SCHEMBL8821825 0.78
SCHEMBL6244017 0.78
SCHEMBL14048559 0.78
SCHEMBL1426194 0.78
SCHEMBL1213256 0.78
SCHEMBL1839681 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590491-B1 ADDUCTS BASED ON CYCLIC COMPOUNDS AND THE USE THEREOF AS TANNING AGENTS AND CURING AGENTS BASF SE (DE) 2011-06-01 EP disclosed
US-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES DRATHS CORPORATION (US) 2010-12-16 US disclosed
EP-1590492-B1 TANNING AGENTS AND PRESERVATIVES BASF SE (DE) 2009-04-15 EP disclosed
US-7410504-B2 Adducts based on cyclic compounds and the use thereof as tanning agents and curing agents BASF AKTIENGESELLSCHAFT (DE) 2008-08-12 US disclosed
US-7282066-B2 Processes for preparing and using tanning agents and preservatives BASF AKTIENGESELLSCHAFT (DE) 2007-10-16 US disclosed
US-20070101509-A1 Method for the production of leather and semifinished products, and formulations that are suitable therefor BASF AKIENGESELLSCHAFT (DE) 2007-05-10 US disclosed
EP-1670957-A1 METHOD FOR THE PRODUCTION OF LEATHER AND SEMIFINISHED PRODUCTS, AND FORMULATIONS THAT ARE SUITABLE THEREFOR BASF Aktiengesellschaft (DE) 2006-06-21 EP disclosed
US-20060101583-A1 Adducts based on cyclic compounds and the use thereof as tanning agents and curing agents BASF AKTIENGESELLSCHAFT (DE) 2006-05-18 US disclosed
US-20060053564-A1 Tanning agents and preservatives BASF AKTIENGESELLSCHAFT (DE) 2006-03-16 US disclosed
EP-1590491-A1 ADDUCTS BASED ON CYCLIC COMPOUNDS AND THE USE THEREOF AS TANNING AGENTS AND CURING AGENTS BASF Aktiengesellschaft (DE) 2005-11-02 EP disclosed
EP-1590492-A1 TANNING AGENTS AND PRESERVATIVES BASF AKTIENGESELLSCHAFT (DE) 2005-11-02 EP disclosed
WO-2005031007-A1 METHOD FOR THE PRODUCTION OF LEATHER AND SEMIFINISHED PRODUCTS, AND FORMULATIONS THAT ARE SUITABLE THEREFOR BASF AKTIENGESELLSCHAFT (DE) 2005-04-07 WO disclosed
WO-2004067781-A1 ADDUCTS BASED ON CYCLIC COMPOUNDS AND THE USE THEREOF AS TANNING AGENTS AND CURING AGENTS BASF AKTIENGESELLSCHAFT (DE) 2004-08-12 WO disclosed
WO-2004067782-A1 TANNING AGENTS AND PRESERVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-08-12 WO 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-20100314243-A1 PREPARATION OF TRANS,TRANS MUCONIC ACID AND TRANS,TRANS MUCONATES MUC1, FUT6, ST6GAL1 TRPA1 2381/4885TRPM8 1950/4885EPHX1 1481/4885

“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.