SCHEMBL6064644

SCHEMBL6064644

C1CCC(NC2CCCCC2)CC1.CCCCCCCCCCCCc1ccccc1CC(=O)S

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.46
EPHX2 P34913 1/20 0.46
KMT2A Q03164 1/20 0.41
CNR1 P21554 4/20 0.41
CNR2 P34972 4/20 0.41
LIPG Q9Y5X9 1/20 0.40
ICMT O60725 1/20 0.40
ALB P02768 1/20 0.40
CYSLTR2 Q9NS75 2/20 0.40
CYSLTR1 Q9Y271 2/20 0.40

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
SCHEMBL6065017 0.84 LIPG (0.54) LIPGCYSLTR2CYSLTR1
SCHEMBL7532688 0.73 KDM4E (0.49) EPHX1EPHX2KMT2ACNR1CNR2
SCHEMBL5509741 0.71 CYSLTR2 (0.56) LIPGCYSLTR2CYSLTR1
SCHEMBL11444088 0.71 LIPG (0.56) LIPGCYSLTR2CYSLTR1
SCHEMBL8080347 0.71 CYSLTR2 (0.56) LIPGCYSLTR2CYSLTR1
SCHEMBL5346786 0.71 LIPG (0.56) LIPGCYSLTR2CYSLTR1
SCHEMBL8086516 0.71 CYSLTR2 (0.56) LIPGCYSLTR2CYSLTR1
SCHEMBL8086397 0.71 CYSLTR2 (0.56) LIPGCYSLTR2CYSLTR1
SCHEMBL9559902 0.71 CYSLTR2 (0.56) LIPGCYSLTR2CYSLTR1
SCHEMBL10533245 0.71 CYSLTR2 (0.56) LIPGCYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247458-A1 Process for the production of optically active compounds having substituents at the 2-position KANEKA CORPORATION (JP) 2006-11-02 US disclosed
EP-1600438-A1 PROCESSES FOR THE PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS HAVING SUBSTITUENTS AT THE 2-POSITION KANEKA CORPORATION (JP) 2005-11-30 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 (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-20060247458-A1 Process for the production of optically active compounds having substituents at the 2-position TST, TMT1A, OSGEP EPHX1 1356/4885EPHX2 475/4885KMT2A 2505/4885

“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.