SCHEMBL23026342

SCHEMBL23026342

COC(=O)C1=COC(C(=O)OC)=C(OC)C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.34
CA12 O43570 12/20 0.34
CA9 Q16790 12/20 0.34
CA2 P00918 5/20 0.34
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
THRB P10828 1/20 0.33
CHRM1 P11229 1/20 0.33
BLM P54132 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
CA1 P00915 2/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL11596428 0.65
SCHEMBL12337476 0.64 CHRM3 (0.40) CHRM3CA12CA9CA2LMNA
SCHEMBL5798986 0.61
SCHEMBL5902597 0.61
SCHEMBL6544936 0.61
SCHEMBL11504938 0.60 NPSR1 (0.46) CA12CA9CA2LMNACA1
SCHEMBL5906945 0.60 PTPN1 (0.50) CHRM3CA12CA9CA2LMNA
SCHEMBL10431184 0.60 CHRM3 (0.50) CHRM3CA12CA9CA2LMNA
SCHEMBL21891254 0.59 CHRM3 (0.46) CHRM3CA12CA9CA2LMNA
SCHEMBL43992 0.58

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-11548901-B2 Substituted 1,4-methanopyrido[1′,2′:4,5]pyrazino[1,2-a]pyrimidines for treating viral infections GILEAD SCIENCES, INC. (US) 2023-01-10 US disclosed
US-20210053988-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2021-02-25 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 (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-20210053988-A1 POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE ZC3HAV1, PYM1, ZC3HAV1L CHRM3 297/4885CA12 2328/4885CA9 3527/4885
US-11548901-B2 Substituted 1,4-methanopyrido[1′,2′:4,5]pyrazino[1,2-a]pyrimidines for treating viral infections PYM1, XDH, CYP2S1 CHRM3 963/4885CA12 4879/4885CA9 4848/4885

“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.