SCHEMBL4425439

SCHEMBL4425439

CCCCCC[C@@H](CC)C(=O)NCc1cccc(CNC(C)=N)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ KMT2A Q03164 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ EPHX2 P34913 3/20 0.43
▸ SPHK1 Q9NYA1 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MMP2 P08253 4/20 0.39
▸ MMP1 P03956 2/20 0.39
▸ TLR2 O60603 1/20 0.39

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
SCHEMBL13933114 0.93 CA1 (0.45) EPHX2
SCHEMBL16289859 0.83 EPHX2 (0.58) TSHRKMT2APKMEPHX2MEN1
SCHEMBL10290340 0.83 EPHX2 (0.58) TSHRKMT2APKMEPHX2MEN1
SCHEMBL16289773 0.79 HDAC3 (0.53) TSHREPHX2
SCHEMBL16289210 0.79 SMN1; SMN2 (0.53) TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL15006852 0.78 EPHX2 (0.49) EPHX2SPHK1TLR2
SCHEMBL15007033 0.78 EPHX2 (0.49) EPHX2SPHK1TLR2
SCHEMBL15006998 0.78 EPHX2 (0.49) EPHX2SPHK1TLR2
SCHEMBL19197510 0.78 TSHR (0.64) TSHRKMT2APKMEPHX2MEN1
SCHEMBL16216320 0.75 LPL (0.47) PKMEPHX2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495029-B2 Prodrugs of (2R)-2-propyloctanoic acid for the treatment of stroke MERCK & CO., INC (US) 2009-02-24 — — US disclosed
US-20080132488-A1 Prodrugs of (2R)-2-Propyloctanoic Acid For the Treatment of Stroke ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-05 — — 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-20080132488-A1 Prodrugs of (2R)-2-Propyloctanoic Acid For the Treatment of Stroke APEH, HCAR2, PTGDR TSHR 1294/4885KMT2A 2171/4885PKM 1392/4885

“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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