SCHEMBL7457329

SCHEMBL7457329

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PKM P14618 2/20 0.35
HSD11B1 P28845 2/20 0.34
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7458471 0.88 ALDH1A1 (0.46) GAAALDH1A1PKMHSD11B1THRB
SCHEMBL7458514 0.86 GAA (0.38) GAAALDH1A1PKMHSD11B1TSHR
SCHEMBL7460528 0.83 GRIN2D (0.34) GAA
SCHEMBL7457863 0.78 ALDH1A1 (0.36) ALDH1A1TSHRTHRBLMNASMN1; SMN2
SCHEMBL7463128 0.77 PKM (0.40) ALDH1A1PKMHSD11B1
SCHEMBL7451991 0.77 TSHR (0.36) TSHR
SCHEMBL7461600 0.76 ALDH1A1 (0.34) ALDH1A1PKML3MBTL1
SCHEMBL7457201 0.76 ALDH1A1 (0.43) GAAALDH1A1PKMHSD11B1THRB
SCHEMBL7452669 0.76 GAA (0.43) GAATHRBL3MBTL1
SCHEMBL7461656 0.76 GRIN2D (0.49) PKMTSHRTHRBLMNASMN1; SMN2

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 GAA 3995/4885ALDH1A1 47/4885PKM 4544/4885

“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.