SCHEMBL522951

SCHEMBL522951

CCC(c1cccc(C(CC)N(C)C)n1)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.33
NISCH Q9Y2I1 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
KCNA5 P22460 2/20 0.32
KCNH2 Q12809 1/20 0.32
PGK1 P00558 2/20 0.31
PGK2 P07205 2/20 0.31
CYP2D6 P10635 1/20 0.30
KCNE1 P15382 1/20 0.30

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
SCHEMBL2681260 0.78 TSHR (0.55) GAATSHRKCNA5KCNH2CYP2D6
SCHEMBL18762843 0.71 OPRM1 (0.39) GAAHPGD
SCHEMBL10062682 0.70 MEN1 (0.42) GAAHPGDIRAK4CYP2D6
SCHEMBL522348 0.70 IRAK4 (0.40) GAATSHRIRAK4PGK1PGK2
SCHEMBL3631871 0.70 TSHR (0.41) GAAHPGDTSHRIRAK4KCNH2
SCHEMBL522830 0.68 IRAK4 (0.40) IRAK4KCNH2PGK1PGK2
SCHEMBL8926699 0.68 HTR2A (0.48) GAAHPGDTSHRKCNH2CYP2D6
SCHEMBL119104 0.68 HTR2A (0.48) GAAHPGDTSHRKCNH2CYP2D6
SCHEMBL171013 0.68 HTR2A (0.48) GAAHPGDTSHRKCNH2CYP2D6
SCHEMBL11071839 0.68 GAA (0.31) GAAHPGD

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
EP-2415742-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 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-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 GAA 3855/4885HPGD 332/4885TSHR 2411/4885

“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.