SCHEMBL19475167

SCHEMBL19475167

C[Si](C)(C)CCOCOc1cccc(C(=O)N2C=CCC2C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ GRM5 P41594 6/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ NAAA Q02083 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GYS1 P13807 1/20 0.34

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
SCHEMBL19475165 1.00 ALDH1A1 (0.39) ALDH1A1GRM5KMT2AL3MBTL1DRD2
SCHEMBL19505788 0.90 L3MBTL1 (0.36) ALDH1A1GRM5KMT2AL3MBTL1DRD2
SCHEMBL19475150 0.89 L3MBTL1 (0.42) ALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL19474997 0.84 L3MBTL1 (0.31) ALDH1A1L3MBTL1
SCHEMBL19474996 0.84 L3MBTL1 (0.31) ALDH1A1L3MBTL1
SCHEMBL19475396 0.81 NPSR1 (0.38) ALDH1A1KMT2AL3MBTL1DRD2DRD3
SCHEMBL19475398 0.81 NPSR1 (0.38) ALDH1A1KMT2AL3MBTL1DRD2DRD3
SCHEMBL19475762 0.80 NFKB1 (0.33) —
SCHEMBL20996808 0.80 GRM5 (0.42) ALDH1A1GRM5KMT2AL3MBTL1NAAA
SCHEMBL19475397 0.80 SMN1; SMN2 (0.37) ALDH1A1

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 ALDH1A1 2458/4885GRM5 2921/4885KMT2A 1988/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 ALDH1A1 2906/4885GRM5 3246/4885KMT2A 2088/4885

“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.

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