SCHEMBL4711732

SCHEMBL4711732

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.41
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
FAAH O00519 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 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
SCHEMBL4712564 0.96 EPHX2 (0.46) EPHX2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4709707 0.94 EPHX2 (0.45) EPHX2MEN1KMT2AMAPTFAAH
SCHEMBL4712065 0.94 EPHX2 (0.45) EPHX2MEN1KMT2AMAPTFAAH
SCHEMBL4710004 0.94 EPHX2 (0.45) EPHX2MEN1KMT2AMAPTFAAH
SCHEMBL4714224 0.91 EPHX2 (0.38) EPHX2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4711531 0.85 LMNA (0.42) EPHX2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4714244 0.78 EPHX2 (0.39) EPHX2ALDH1A1
SCHEMBL4710035 0.77 ALDH1A1 (0.39) EPHX2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6452242 0.77 EPHX2 (0.52) EPHX2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4713498 0.74 EPHX2 (0.41) EPHX2ALDH1A1MEN1KMT2ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1398309-B1 NOVEL ADAMANTANE DERIVATIVE IDEMITSU KOSAN CO (JP) 2008-02-20 EP disclosed
US-6833388-B2 1,3-adamantanedicarboxylic acid-bis(2'-alkyl-2'-adamantyl)-esters; photoresist additive; resin heat resistance improver; pharmaceutical and agrochemical intermediates IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-12-21 US disclosed
US-20040157923-A1 Novel adamantane derivative IDEMITSU KOSAN CO. LTD. (JP) 2004-08-12 US disclosed
EP-1398309-A1 NOVEL ADAMANTANE DERIVATIVE IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2004-03-17 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-20040157923-A1 Novel adamantane derivative TAS1R1, TAS2R1, ADORA1 EPHX2 2876/4885ALDH1A1 225/4885MEN1 3228/4885

“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.