SCHEMBL7460417

SCHEMBL7460417

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

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
DPP4 P27487 3/20 0.35
HSD11B1 P28845 3/20 0.34

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
SCHEMBL7453769 0.89 PKM (0.35) PKMDPP4HSD11B1
SCHEMBL7448672 0.87 CNR1 (0.34) PKMDPP4HSD11B1
SCHEMBL13427877 0.86 PKM (0.37) PKMDPP4HSD11B1
SCHEMBL7458498 0.86 PKM (0.37) PKMDPP4HSD11B1
SCHEMBL6744825 0.83 PKM (0.40) PKMDPP4HSD11B1
SCHEMBL7454150 0.83 KMT2A (0.36)
SCHEMBL7453561 0.82 ALDH1A1 (0.35)
SCHEMBL7454186 0.81 PKM (0.33) PKMDPP4HSD11B1
SCHEMBL7454685 0.80 ALDH1A1 (0.42) PKMHSD11B1
SCHEMBL7463128 0.77 PKM (0.40) PKMDPP4HSD11B1

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 4544/4885DPP4 4368/4885HSD11B1 283/4885

“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.