SCHEMBL7449765

SCHEMBL7449765

CCCCCCC(C)(O)C12CC3CC(CC(C(=O)O)(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 4/20 0.37
RBP4 P02753 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7458147 0.99 ALDH1A1 (0.41) ALDH1A1PKML3MBTL1EPHX2RBP4
SCHEMBL7453860 0.95 ALDH1A1 (0.42) ALDH1A1PKML3MBTL1EPHX2RBP4
SCHEMBL7457201 0.89 ALDH1A1 (0.43) ALDH1A1PKML3MBTL1RBP4KMT2A
SCHEMBL7458471 0.83 ALDH1A1 (0.46) ALDH1A1PKML3MBTL1RBP4KMT2A
SCHEMBL7455991 0.81 CNR2 (0.37) PKMEPHX2
SCHEMBL7458118 0.80 EPHX2 (0.42) EPHX2
SCHEMBL7462331 0.79 CNR2 (0.38) PKMEPHX2
SCHEMBL7456637 0.78 EPHX2 (0.36) ALDH1A1EPHX2
SCHEMBL7461924 0.78 EPHX2 (0.40) EPHX2
SCHEMBL7453170 0.77 ALDH1A1 (0.39) ALDH1A1PKML3MBTL1EPHX2RBP4

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 47/4885PKM 4544/4885L3MBTL1 1820/4885

“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.