SCHEMBL4028231

SCHEMBL4028231

O=C(N1CCCCC1O)N1CCCCC1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
DPP4 P27487 4/20 0.36
DPP7 Q9UHL4 3/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 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
SCHEMBL74963 0.83 HPGD (0.37) HPGDGAACA12CA1CA2
SCHEMBL18639814 0.83 HPGD (0.37) HPGDGAACA12CA1CA2
SCHEMBL10808899 0.81 CHRM2 (0.46) HPGDGAACHRM2CHRM4CHRM5
SCHEMBL4772277 0.81 HPGD (0.37) HPGDGAACA12CA1CA2
SCHEMBL4598253 0.81 EPHX1 (0.37) HPGDGAACA12CA1CA2
SCHEMBL5329524 0.81 HPGD (0.36) HPGDGAACA12CA1CA2
SCHEMBL28003606 0.76 EPHX2 (0.41) HPGDGAAALDH1A1TSHRHTT
SCHEMBL7857359 0.76 SRC (0.42) HPGDGAACA12CA1CA2
SCHEMBL560075 0.75
SCHEMBL3457559 0.75

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-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 HPGD 201/4885GAA 350/4885CA12 377/4885

“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.