SCHEMBL4137129

SCHEMBL4137129

OCC(CO)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
SLC22A2 O15244 1/20 0.42
SLC47A1 Q96FL8 1/20 0.42
MAPT P10636 1/20 0.41
EPHX2 P34913 4/20 0.40
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PRKCA P17252 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35

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
SCHEMBL4136815 0.86 KMT2A (0.43) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL14696044 0.80 KMT2A (0.42) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL3813603 0.77 KMT2A (0.48) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL9670646 0.75 KMT2A (0.42) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL4946866 0.75 SLC22A2 (0.50) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL5597864 0.75 KMT2A (0.42) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL14418633 0.75 KMT2A (0.42) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL14695859 0.75 SLC22A2 (0.50) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL5301476 0.75 SLC22A2 (0.50) KMT2AMEN1CYP2D6CYP2C19SLC22A2
SCHEMBL1981155 0.74 EPHX2 (0.51) KMT2AMEN1CYP2D6CYP2C19SLC22A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137774-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC COMPONENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-05-28 US disclosed
EP-1930327-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC COMPONENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-06-11 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-20090137774-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC COMPONENT USING SAME GJA1, CDH1, OR10J3 KMT2A 3147/4885MEN1 3801/4885CYP2D6 2686/4885

“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.