SCHEMBL7459463

SCHEMBL7459463

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.34
SLC47A1 Q96FL8 1/20 0.34
KMT2A Q03164 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 2/20 0.33
SIGMAR1 Q99720 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
EPHX1 P07099 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7462696 0.83 PKM (0.37) ALDH1A1
SCHEMBL6740182 0.74 KMT2A (0.33) KMT2ASMN1; SMN2MEN1SIGMAR1ALDH1A1
SCHEMBL6346239 0.74 KMT2A (0.33) KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7459280 0.74 SLC22A2 (0.39) SLC22A2SLC47A1KMT2AMAPTEPHX1
SCHEMBL5969137 0.72 SLC22A2 (0.38) SLC22A2SLC47A1KMT2AMAPTMEN1
SCHEMBL5195656 0.72 KMT2A (0.33) KMT2ASMN1; SMN2MEN1CYP2D6CYP2C19
SCHEMBL7454150 0.71 KMT2A (0.36) SLC22A2SLC47A1KMT2ASMN1; SMN2MAPT
SCHEMBL9608695 0.68 ALDH1A1 (0.36) KMT2ASMN1; SMN2MAPTMEN1ALDH1A1
SCHEMBL23383111 0.68 KMT2A (0.32) SLC22A2SLC47A1KMT2ASMN1; SMN2MAPT
SCHEMBL7457691 0.68 KMT2A (0.33) SLC22A2SLC47A1KMT2ASMN1; SMN2MAPT

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 SLC22A2 4342/4885SLC47A1 2388/4885KMT2A 1874/4885

“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.