SCHEMBL21654545

SCHEMBL21654545

Cc1ccc(C2OCC(C3CCC(C)CO3)CO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.30
ATM Q13315 1/20 0.30
RAB9A P51151 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
SCHEMBL10014264 0.82 PKM (0.38) PKMNPSR1LMNATP53MAPT
SCHEMBL22474104 0.81 ESR2 (0.42) PKMNPSR1LMNATP53MAPT
SCHEMBL12918619 0.81 MAPT (0.38) PKMNPSR1LMNATP53MAPT
SCHEMBL12754471 0.81 MAPT (0.38) PKMNPSR1LMNATP53MAPT
SCHEMBL27322339 0.80 HSD11B1 (0.32)
SCHEMBL10311704 0.78 RAB9A (0.35) PKMNPSR1LMNATP53MAPT
SCHEMBL12361197 0.76 RAB9A (0.40) PKMNPSR1LMNAMAPTATM
SCHEMBL13785220 0.76
SCHEMBL12829104 0.73 TSHR (0.39) PKMNPSR1LMNATP53MAPT
SCHEMBL12754470 0.73 TSHR (0.39) PKMNPSR1LMNATP53MAPT

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-10544365-B2 Nematic liquid crystal composition DIC CORPORATION (JP) 2020-01-28 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-10544365-B2 Nematic liquid crystal composition DOCK5, CDKL5, NCS1 PKM 4334/4885NPSR1 3815/4885LMNA 1467/4885

“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.