SCHEMBL4711531

SCHEMBL4711531

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 2/20 0.36
CNR2 P34972 2/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
EPHX2 P34913 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
ATM Q13315 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
SCHEMBL4714224 0.88 EPHX2 (0.38) LMNAALDH1A1EPHX2MEN1KMT2A
SCHEMBL4711732 0.85 EPHX2 (0.41) ALDH1A1CNR2EPHX2MEN1KMT2A
SCHEMBL4712564 0.84 EPHX2 (0.46) ALDH1A1CNR2EPHX2MEN1KMT2A
SCHEMBL4714244 0.83 EPHX2 (0.39) ALDH1A1EPHX2
SCHEMBL4712065 0.83 EPHX2 (0.45) LMNAMAPK1CNR2EPHX2MEN1
SCHEMBL4710004 0.83 EPHX2 (0.45) LMNAMAPK1CNR2EPHX2MEN1
SCHEMBL4709707 0.83 EPHX2 (0.45) LMNAMAPK1CNR2EPHX2MEN1
SCHEMBL4710035 0.81 ALDH1A1 (0.39) ALDH1A1CNR2EPHX2MEN1KMT2A
SCHEMBL4713498 0.79 EPHX2 (0.41) ALDH1A1CNR2EPHX2MEN1KMT2A
SCHEMBL4710675 0.77 EPHX2 (0.40) MAPK1EPHX2MEN1KMT2A

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 LMNA 4176/4885ALDH1A1 225/4885CYP3A4 83/4885

“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.