SCHEMBL18033090

SCHEMBL18033090

COC(=O)c1ccc(OC2CC2)c(OCCO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 13/20 0.41
▸ PDE4B Q07343 12/20 0.41
▸ PDE4A P27815 11/20 0.41
▸ PDE4C Q08493 11/20 0.41
▸ MAPT P10636 2/20 0.37
▸ PDE5A O76074 1/20 0.37
▸ MDH1 P40925 1/20 0.36
▸ MDH2 P40926 1/20 0.36

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
SCHEMBL18054821 0.82 CA12 (0.47) MAPTMDH1MDH2
SCHEMBL18033077 0.81 MAPT (0.38) MAPTMDH1MDH2
SCHEMBL18031267 0.81 PDE4B (0.47) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL18031239 0.81 PDE4D (0.49) PDE4DPDE4BPDE4APDE4CMAPT
SCHEMBL1665370 0.81 S1PR4 (0.47) MAPT
SCHEMBL26814603 0.81 CYP1A2 (0.44) MAPTMDH1MDH2
SCHEMBL18033365 0.80 SMPD1 (0.50) MAPT
SCHEMBL25314479 0.79 MRGPRX4 (0.47) MAPT
SCHEMBL20976380 0.79 RAB9A (0.42) MAPT
SCHEMBL18031253 0.78 MAPT (0.53) PDE4DPDE4BPDE4APDE4CMAPT

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-10358453-B2 Antiviral compounds ALIOS BIOPHARMA, INC. (US) 2019-07-23 — — US disclosed
US-20160244460-A1 ANTIVIRAL COMPOUNDS Janssen Pharmaceuticals, Inc. 2016-08-25 — — 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 (2 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-10358453-B2 Antiviral compounds MAVS, SARS1, ZC3HAV1 PDE4D 1564/4885PDE4B 636/4885PDE4A 700/4885
US-20160244460-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 PDE4D 1564/4885PDE4B 636/4885PDE4A 700/4885

“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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