SCHEMBL7452880

SCHEMBL7452880

CCC(C)(O)C12CC3CC(CC(CO)(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
GAA P10253 1/20 0.33
PKM P14618 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
SCHEMBL7454945 0.87 ALDH1A1 (0.39) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL7460528 0.86 GRIN2D (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7453442 0.85 ALDH1A1 (0.39) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL7457373 0.84 ALDH1A1 (0.35) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL7458903 0.83 EPHX2 (0.34) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL7458829 0.83 ALDH1A1 (0.35) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL7456637 0.82 EPHX2 (0.36) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL7457271 0.80 ALDH1A1 (0.35) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL7451991 0.79 TSHR (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7463128 0.79 PKM (0.40) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020016516-A1 Hydrocarbon bonded to a carbon atom which is bonded to a hydroxyl group, a methane group, and an adamantane ring; or its protected derivatives; alcohol intermediates for acrylic ester monomers for hydrophilic, adhesive photoresists DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-07 US disclosed
US-6344590-B1 HYDROCARBON BONDED TO A CARBON ATOM WHICH IS BONDED TO A HYDROXYL GROUP, A METHANE GROUP, AND AN ADAMANTANE RING; OR ITS PROTECTED DERIVATIVES; ALCOHOL INTERMEDIATES FOR ACRYLIC ESTER MONOMERS FOR HYDROPHILIC, ADHESIVE PHOTORESISTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-05 US disclosed
EP-0990632-A1 ADAMANTANEMETHANOL DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Daicel Chemical Industries, Ltd. (JP) 2000-04-05 EP 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-20020016516-A1 Hydrocarbon bonded to a carbon atom which is bonded to a hydroxyl group, a methane group, and an adamantane ring; or its protected derivatives; alcohol intermediates for acrylic ester monomers for hydrophilic, adhesive photoresists ADH1A, ADGRF1, ADGRE5 ALDH1A1 47/4885LMNA 2523/4885GRIN2D 845/4885

“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.