SCHEMBL13488682

SCHEMBL13488682

COc1ccc(C2CC(=O)c3ccc(OC4OC(COC(=O)CC(C)CCCC(CO)CCC=C(C)C)C(O)C(O)C4O)cc3O2)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.51
▸ POLB P06746 1/20 0.48
▸ CALM1 P0DP23 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ CACNA1B Q00975 1/20 0.48
▸ APBA1 Q02410 1/20 0.48
▸ CTDSP1 Q9GZU7 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CYP19A1 P11511 10/20 0.46
▸ TRPA1 O75762 1/20 0.45
▸ P4HB P07237 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.45
▸ ELANE P08246 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ SYNJ2 O15056 1/20 0.41
▸ SLCO2B1 O94956 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ DPP4 P27487 1/20 0.41

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
SCHEMBL10015144 0.95 CYP19A1 (0.45) KDM1APOLBCALM1GSK3BCACNA1B
SCHEMBL13488704 0.91 KDM1A (0.53) KDM1APOLBCALM1GSK3BCACNA1B
SCHEMBL10015155 0.86 TRPA1 (0.48) KDM1APOLBCALM1GSK3BCACNA1B
SCHEMBL10015141 0.77 CYP19A1 (0.48) KDM1APOLBCALM1GSK3BCACNA1B
SCHEMBL31233064 0.75 KDM1A (0.81) KDM1APOLBCALM1GSK3BCACNA1B
SCHEMBL10015152 0.71 TRPA1 (0.60) KDM1APOLBCALM1GSK3BCACNA1B
SCHEMBL10015154 0.70 KDM1A (0.59) KDM1APOLBCALM1GSK3BCACNA1B
SCHEMBL22380698 0.70 SLCO2B1 (0.77) KDM1APOLBCALM1GSK3BCACNA1B
SCHEMBL22261653 0.70 SLCO2B1 (0.77) KDM1APOLBCALM1GSK3BCACNA1B
SCHEMBL2961146 0.69 TRPA1 (0.75) KDM1APOLBCALM1GSK3BCACNA1B

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-20100048494-A1 Natural Products from Vinca RICE UNIVERSITY (US) 2010-02-25 — — 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-20100048494-A1 Natural Products from Vinca HIRA, RDX, SLC22A8 KDM1A 1832/4885POLB 571/4885CALM1 3444/4885

“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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