SCHEMBL4897818

SCHEMBL4897818

CCCCCC(C)CCC(O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.48
OPRM1 P35372 1/20 0.41
CA1 P00915 2/20 0.39
SPHK1 Q9NYA1 1/20 0.39
LMNA P02545 2/20 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
FDPS P14324 5/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL4894795 0.98 ACE2 (0.52) ACE2OPRM1CA1SPHK1LMNA
SCHEMBL4894258 0.98 ACE2 (0.52) ACE2OPRM1CA1SPHK1LMNA
SCHEMBL4897448 0.98 ACE2 (0.52) ACE2OPRM1CA1SPHK1LMNA
SCHEMBL4897015 0.93 ACE2 (0.41) ACE2OPRM1CA1SPHK1LMNA
SCHEMBL4898571 0.83 TSHR (0.48) ACE2MEN1CYP3A4ALOX15KMT2A
SCHEMBL27610814 0.82 ACE2 (0.48) ACE2OPRM1CA1SPHK1LMNA
SCHEMBL4904464 0.80 ACE2 (0.58) ACE2OPRM1CA1SPHK1LMNA
SCHEMBL20509650 0.79 ACE2 (0.45) ACE2OPRM1CA1SPHK1LMNA
SCHEMBL22129693 0.77 ACE2 (0.62) ACE2OPRM1SPHK1LMNAPRKD3
SCHEMBL20506755 0.77 ACE2 (0.62) ACE2OPRM1SPHK1LMNAPRKD3

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-20080003277-A1 Agent for improving tissue penetration MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSHAFTEN E.V. (DE) 2008-01-03 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-20080003277-A1 Agent for improving tissue penetration PGF, MMP8, MMP1 ACE2 1277/4885OPRM1 1745/4885CA1 1662/4885

“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.