SCHEMBL22800227

SCHEMBL22800227

C=CCCCCCc1ccccc1C(=O)N[C@@H](CC=C)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ MAPT P10636 1/20 0.37
▸ SLC16A3 O15427 4/20 0.37
▸ THRB P10828 2/20 0.37
▸ THRA P10827 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP26A1 O43174 1/20 0.33

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
SCHEMBL22799768 1.00 CYP4F2 (0.39) CYP4F2CYP4A11MAPTSLC16A3THRB
SCHEMBL22800230 1.00 CYP4F2 (0.39) CYP4F2CYP4A11MAPTSLC16A3THRB
SCHEMBL22800083 0.84 MAPT (0.38) MAPTHPGDHTTKMT2AHSD17B10
SCHEMBL22799765 0.82 MAPT (0.35) MAPTSLC16A3THRBTHRAALDH1A1
SCHEMBL22801013 0.74 MAPT (0.40) MAPTTHRBTHRATSHRHTT
SCHEMBL12984319 0.73 TSHR (0.41) CYP4F2CYP4A11THRBL3MBTL1ALDH1A1
SCHEMBL22800186 0.72 ICMT (0.37) MAPTALDH1A1KDM4EMEN1HPGD
SCHEMBL22800999 0.72 CAPN1 (0.47) MAPTTHRBTHRATSHRHTT
SCHEMBL13582980 0.72 S1PR2 (0.38) CYP4F2CYP4A11THRBL3MBTL1ALDH1A1
SCHEMBL12984118 0.71 TSHR (0.44) CYP4F2CYP4A11THRBL3MBTL1ALDH1A1

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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF Knobbe, Martens, Olson & Bear, LLP 2020-12-17 — — 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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN2, CAPN1 CYP4F2 4771/4885CYP4A11 4541/4885MAPT 472/4885

“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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