SCHEMBL26357342

SCHEMBL26357342

CC1(C)CC(OC(=O)C(C)(C)Cl)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.35
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NR1I2 O75469 1/20 0.31
ABCB11 O95342 1/20 0.31
GAA P10253 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
SCHEMBL26357347 0.81 CYP19A1 (0.33)
SCHEMBL26357335 0.79
SCHEMBL26357392 0.79
SCHEMBL19574095 0.76 APLNR (0.31) APLNRGAA
SCHEMBL26357373 0.75 CYP19A1 (0.44) LMNACYP2C19
SCHEMBL26357258 0.75 CYP19A1 (0.47) LMNACYP2C19
SCHEMBL25393144 0.74 APLNR (0.41) APLNRLMNAALDH1A1CYP3A4CYP1A2
SCHEMBL26357327 0.73 CYP19A1 (0.50) CYP2C19
SCHEMBL26357596 0.73 CHRM2 (0.31)
SCHEMBL25382269 0.73 APLNR (0.44) APLNRLMNAALDH1A1CYP3A4CYP1A2

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-20230303599-A1 PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. 2023-09-28 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-20230303599-A1 PRODRUGS OF PHOSPHONAMIDE NUCLEOTIDE ANALOGUES AND THEIR PHARMACEUTICAL USE PNP, TYMP, NME2 APLNR 3102/4885LMNA 1373/4885ALDH1A1 3872/4885

“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.