SCHEMBL19475641

SCHEMBL19475641

CCCCCC[C@@H](O)CCCCC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
FAAH O00519 2/20 0.46
GPR84 Q9NQS5 8/20 0.45
ACE2 Q9BYF1 1/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
NFKB1 P19838 1/20 0.40
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
CA2 P00918 1/20 0.38
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 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
SCHEMBL19475644 1.00 FFAR1 (0.47) FFAR1FFAR4FAAHGPR84ACE2
SCHEMBL10420255 0.97 FFAR1 (0.47) FFAR1FFAR4FAAHGPR84ACE2
SCHEMBL9842167 0.94 GPR84 (0.44) FFAR1GPR84ACE2MAPTLCK
SCHEMBL28707355 0.88 GPR84 (0.41) FFAR1FFAR4FAAHGPR84ACE2
SCHEMBL19506118 0.85 FFAR1 (0.41) FFAR1FFAR4FAAHGPR84ACACB
Choline SCHEMBL28707352 0.83 PSMD14 (0.42) FFAR1GPR84ACE2MAPTLCK
SCHEMBL19475133 0.82 FAAH (0.40) FFAR1FFAR4FAAHGPR84ACACB
SCHEMBL20996801 0.82 FAAH (0.40) FFAR1FFAR4FAAHGPR84ACACB
SCHEMBL4855121 0.81 CHRM1 (0.39) NFKB1CA2GRIK1GRIK2
SCHEMBL4855136 0.81 CHRM1 (0.39) NFKB1CA2GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647671-B2 Promysalin analogues and methods of use thereof Temple University—Of the Commonwealth System of Higher Education (US) 2020-05-12 US disclosed
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof Temple University--of the Commonwealth System of Higher Education 2019-05-30 US disclosed
WO-2017184558-A1 NOVEL PROMYSALIN ANALOGUES AND METHODS OF USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-26 WO 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 (2 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-10647671-B2 Promysalin analogues and methods of use thereof CCL11, MAN2A1, PREP FFAR1 3682/4885FFAR4 3685/4885FAAH 981/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 FFAR1 3988/4885FFAR4 3997/4885FAAH 1130/4885

“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.