SCHEMBL5078352

SCHEMBL5078352

CCCCC[C@H](C)CCC[C@@H](C)CC(C)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.48
LMNA P02545 3/20 0.44
SPHK1 Q9NYA1 2/20 0.43
OPRM1 P35372 1/20 0.41
GPR84 Q9NQS5 6/20 0.39
CA1 P00915 2/20 0.39
FFAR1 O14842 1/20 0.39
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCI P41743 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCZ Q05513 1/20 0.39
PRKCD Q05655 1/20 0.39
PRKD1 Q15139 1/20 0.39
TP53 P04637 2/20 0.38
CYP2D6 P10635 2/20 0.36

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
SCHEMBL1658870 0.95 ACE2 (0.47) ACE2LMNASPHK1OPRM1GPR84
SCHEMBL1659105 0.93 SPHK1 (0.50) ACE2LMNASPHK1OPRM1GPR84
SCHEMBL5583724 0.93 SPHK1 (0.50) ACE2LMNASPHK1OPRM1GPR84
SCHEMBL13900820 0.93 ACE2 (0.41) ACE2LMNASPHK1PRKD3PRKCG
SCHEMBL5684704 0.93 SPHK1 (0.50) ACE2LMNASPHK1OPRM1GPR84
SCHEMBL5687214 0.93 SPHK1 (0.50) ACE2LMNASPHK1OPRM1GPR84
SCHEMBL5583762 0.93 SPHK1 (0.50) ACE2LMNASPHK1OPRM1GPR84
SCHEMBL5687474 0.93 SPHK1 (0.50) ACE2LMNASPHK1OPRM1GPR84
SCHEMBL1658455 0.88 ACE2 (0.39) ACE2SPHK1OPRM1MAPT
SCHEMBL5583601 0.84 ACE2 (0.55) ACE2LMNASPHK1OPRM1GPR84

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-20080039638-A1 Asymmetric Hydrogenation of Alkennes Using Chiral Iridium Complexes DSM IP ASSETS B.V. (NL) 2008-02-14 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-20080039638-A1 Asymmetric Hydrogenation of Alkennes Using Chiral Iridium Complexes SQLE, FADS1, FADS2 ACE2 710/4885LMNA 4536/4885SPHK1 452/4885

“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.