SCHEMBL22380698

SCHEMBL22380698

O=C1CC(c2ccc(O)c(O)c2)Oc2cc(OC3OC(CO)C(O)C(O)C3O)ccc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLCO2B1 O94956 2/20 0.77
▸ SYNJ2 O15056 1/20 0.77
▸ TRPA1 O75762 1/20 0.77
▸ P4HB P07237 1/20 0.77
▸ TRPV1 Q8NER1 1/20 0.77
▸ PTPN1 P18031 3/20 0.66
▸ KDM1A O60341 2/20 0.64
▸ PKM P14618 1/20 0.62
▸ CYP19A1 P11511 6/20 0.61
▸ DPP4 P27487 1/20 0.59
▸ GSK3B P49841 2/20 0.53
▸ UBE2N P61088 1/20 0.53
▸ POLB P06746 1/20 0.50
▸ CALM1 P0DP23 1/20 0.50
▸ CACNA1B Q00975 1/20 0.50
▸ APBA1 Q02410 1/20 0.50
▸ CTDSP1 Q9GZU7 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL22261653 1.00 SLCO2B1 (0.77) SLCO2B1SYNJ2TRPA1P4HBTRPV1
SCHEMBL2961146 0.94 TRPA1 (0.75) SLCO2B1SYNJ2TRPA1P4HBTRPV1
SCHEMBL29351306 0.91 TRPA1 (0.89) SLCO2B1SYNJ2TRPA1P4HBTRPV1
SCHEMBL10926327 0.89 TRPA1 (0.79) SLCO2B1SYNJ2TRPA1P4HBTRPV1
SCHEMBL31504735 0.89 TRPA1 (0.79) SLCO2B1SYNJ2TRPA1P4HBTRPV1
SCHEMBL27939664 0.89 TRPA1 (0.79) SLCO2B1SYNJ2TRPA1P4HBTRPV1
SCHEMBL3934884 0.87 SLCO2B1 (1.00) SLCO2B1SYNJ2TRPA1P4HBTRPV1
SCHEMBL3451231 0.87 SLCO2B1 (1.00) SLCO2B1SYNJ2TRPA1P4HBTRPV1
SCHEMBL29559106 0.87 SLCO2B1 (1.00) SLCO2B1SYNJ2TRPA1P4HBTRPV1
SCHEMBL20437868 0.87 SLCO2B1 (1.00) SLCO2B1SYNJ2TRPA1P4HBTRPV1

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-20200268818-A1 BONE REMODELING ACCELERATOR HOKURIKU UNIVERSITY (JP) 2020-08-27 — — 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-20200268818-A1 BONE REMODELING ACCELERATOR SOST, COL2A1, CXCL12 SLCO2B1 4355/4885SYNJ2 2378/4885TRPA1 4761/4885

“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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