SCHEMBL17524149

SCHEMBL17524149

CCCCCC[C@@H](CCCC(C)(C)C)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.39
LMNA P02545 1/20 0.39
LPAR6 P43657 3/20 0.38
LPAR1 Q92633 3/20 0.38
LPAR4 Q99677 3/20 0.38
LPAR5 Q9H1C0 3/20 0.38
LPAR2 Q9HBW0 3/20 0.38
LPAR3 Q9UBY5 3/20 0.38
CA2 P00918 1/20 0.37
SMPD1 P17405 3/20 0.36
FDPS P14324 4/20 0.35
GPR84 Q9NQS5 3/20 0.35
SPHK1 Q9NYA1 1/20 0.35
FFAR1 O14842 1/20 0.35
PRKD3 O94806 2/20 0.35
PRKCG P05129 2/20 0.35
PRKCB P05771 2/20 0.35
PRKCA P17252 2/20 0.35
PRKCH P24723 2/20 0.35
PRKCI P41743 2/20 0.35

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
SCHEMBL17524150 1.00 ZDHHC7 (0.39) ZDHHC7LMNALPAR6LPAR1LPAR4
SCHEMBL17524075 0.98 ZDHHC7 (0.36) ZDHHC7LMNALPAR6LPAR1LPAR4
SCHEMBL17524074 0.98 ZDHHC7 (0.36) ZDHHC7LMNALPAR6LPAR1LPAR4
SCHEMBL17524005 0.92 CA2 (0.39) LPAR6LPAR1LPAR4LPAR5LPAR2
SCHEMBL17524006 0.92 CA2 (0.39) LPAR6LPAR1LPAR4LPAR5LPAR2
SCHEMBL14520047 0.85 TSHR (0.44) ZDHHC7LMNALPAR6LPAR1LPAR4
SCHEMBL18165672 0.85 TSHR (0.44) ZDHHC7LMNALPAR6LPAR1LPAR4
SCHEMBL13464149 0.85 TSHR (0.44) ZDHHC7LMNALPAR6LPAR1LPAR4
SCHEMBL17676329 0.85 TSHR (0.44) ZDHHC7LMNALPAR6LPAR1LPAR4
SCHEMBL13069532 0.85 TSHR (0.44) ZDHHC7LMNALPAR6LPAR1LPAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2016-02-11 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 (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-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 ZDHHC7 425/4885LMNA 3497/4885LPAR6 4535/4885

“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.