SCHEMBL13531952

SCHEMBL13531952

C[C@@]1(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OC1(O)c1ccc[nH]1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.33
▸ ACHE P22303 2/20 0.33
▸ PDE4D Q08499 3/20 0.33
▸ NT5E P21589 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ TACR2 P21452 2/20 0.31
▸ GYPA P02724 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL9911194 0.80 — —
SCHEMBL13532203 0.76 GAA (0.31) —
SCHEMBL13667822 0.73 HSPA5 (0.31) —
SCHEMBL12393237 0.73 PDE2A (0.30) —
SCHEMBL12243144 0.73 PDE2A (0.30) —
SCHEMBL12393235 0.73 HSPA5 (0.37) —
SCHEMBL2374198 0.72 HSPA5 (0.35) BCHE
SCHEMBL14039016 0.72 PTPN1 (0.33) BCHEHTR1A
SCHEMBL19088037 0.71 HSPA5 (0.36) BCHE
SCHEMBL10142663 0.71 HSPA5 (0.34) BCHE

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-20100015094-A1 ANTIVIRAL NUCLEOSIDE ANALOGS WILMINGTON TRUST, NATIONAL ASSOCIATION 2010-01-21 — — 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-20100015094-A1 ANTIVIRAL NUCLEOSIDE ANALOGS TYMP, SAMHD1, TYMS BCHE 3791/4885ACHE 4637/4885PDE4D 2157/4885

“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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