SCHEMBL6065211

SCHEMBL6065211

C1CCC(NC2CCCCC2)CC1.CCCCCCCCCCCCc1sccc1CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.44
EPHX2 P34913 1/20 0.44
LTB4R Q15722 7/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ICMT O60725 1/20 0.39
ALB P02768 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38

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
SCHEMBL6065611 0.86 LTB4R (0.51) LTB4RALDH1A1
Propionic Acid SCHEMBL28438232 0.78 LTB4R (0.58) LTB4RALDH1A1
SCHEMBL9093730 0.76 LTB4R (0.51) LTB4RALDH1A1
SCHEMBL28904223 0.72 LTB4R (0.44) LTB4RALDH1A1
SCHEMBL6064644 0.71 EPHX1 (0.46) EPHX1EPHX2ICMTALBCNR1
Nonanoate SCHEMBL30520295 0.71 GPR84 (0.59) EPHX1PDE4AALDH1A1
Decanoic Acid SCHEMBL9138144 0.71 GPR84 (0.59) EPHX1PDE4AALDH1A1
Octanoic Acid SCHEMBL26607802 0.71 GPR84 (0.59) EPHX1PDE4AALDH1A1
Stearic Acid SCHEMBL9356615 0.71 GPR84 (0.59) EPHX1PDE4AALDH1A1
Dodecanoate SCHEMBL975849 0.71 GPR84 (0.59) EPHX1PDE4AALDH1A1

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 475/4885LTB4R 1341/4885

“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.