SCHEMBL7456491

SCHEMBL7456491

CCCC(C)(O)C12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
HSD11B1 P28845 3/20 0.35
ALDH1A1 P00352 2/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
MDH1 P40925 1/20 0.32
MDH2 P40926 1/20 0.32
DPP4 P27487 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL7454163 0.90 CNR2 (0.36) PKMHSD11B1CNR1CNR2DPP4
SCHEMBL7462331 0.89 CNR2 (0.38) PKMHSD11B1CNR1CNR2
SCHEMBL7455991 0.88 CNR2 (0.37) PKMHSD11B1CNR1CNR2
SCHEMBL7463128 0.86 PKM (0.40) PKMHSD11B1ALDH1A1CNR1CNR2
SCHEMBL7452744 0.82 KMT2A (0.33) HSD11B1SMN1; SMN2
SCHEMBL7454945 0.81 ALDH1A1 (0.39) PKMALDH1A1
SCHEMBL7453547 0.79 PKM (0.37) PKMHSD11B1ALDH1A1DPP4
SCHEMBL7457201 0.78 ALDH1A1 (0.43) PKMHSD11B1ALDH1A1
SCHEMBL2688294 0.78 PKM (0.45) PKMHSD11B1ALDH1A1MDH1MDH2
SCHEMBL6831527 0.77 PKM (0.41) PKMHSD11B1ALDH1A1CNR1CNR2

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 PKM 4544/4885HSD11B1 283/4885ALDH1A1 47/4885

“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.