SCHEMBL19475004

SCHEMBL19475004

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.36
SOAT1 P35610 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
CA2 P00918 3/20 0.34
CA1 P00915 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL19475046 1.00 FAAH (0.36) FAAHSOAT1CYP1A2CYP3A4CYP2C19
SCHEMBL1667148 0.92 CA2 (0.40) CA2CA1GRIK1GRIK2FFAR1
SCHEMBL7046890 0.90 CA2 (0.41) TP53CA2CA1GRIK1GRIK2
SCHEMBL20996807 0.87 KDM4E (0.41) FAAHSOAT1CYP1A2CYP3A4CYP2C19
SCHEMBL19475374 0.86 S1PR2 (0.41) CA2CA1GRIK1GRIK2ZDHHC7
SCHEMBL19475376 0.86 S1PR2 (0.41) CA2CA1GRIK1GRIK2ZDHHC7
SCHEMBL19900476 0.86 CA2 (0.46) CA2CA1GRIK1GRIK2EPHX1
SCHEMBL19900563 0.86 CA2 (0.46) CA2CA1GRIK1GRIK2EPHX1
SCHEMBL19900480 0.86 CA2 (0.46) CA2CA1GRIK1GRIK2EPHX1
SCHEMBL19475137 0.81 FFAR1 (0.48) FAAHSOAT1CYP1A2CYP3A4CYP2C19

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 FAAH 981/4885SOAT1 3033/4885CYP1A2 1684/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 FAAH 1130/4885SOAT1 3121/4885CYP1A2 2839/4885

“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.