SCHEMBL4710035

SCHEMBL4710035

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GLA P06280 1/20 0.39
CNR2 P34972 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
EPHX2 P34913 3/20 0.34
EPHX1 P07099 1/20 0.34
TSHR P16473 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
FAAH O00519 1/20 0.34
P2RX7 Q99572 1/20 0.34
PKM P14618 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33

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
SCHEMBL4710675 0.81 EPHX2 (0.40) MEN1KMT2AEPHX2SCN1ASCN2A
SCHEMBL4709378 0.81 CYP17A1 (0.38) ALDH1A1EPHX2EPHX1SCN1ASCN2A
SCHEMBL4711531 0.81 LMNA (0.42) ALDH1A1L3MBTL1CNR2MEN1KMT2A
SCHEMBL4711516 0.79 THRB (0.34) ALDH1A1EPHX2EPHX1GAA
SCHEMBL4714224 0.79 EPHX2 (0.38) ALDH1A1L3MBTL1MEN1KMT2AEPHX2
SCHEMBL4714244 0.78 EPHX2 (0.39) ALDH1A1EPHX2TSHRPKM
SCHEMBL4713498 0.77 EPHX2 (0.41) ALDH1A1CNR2MEN1KMT2AEPHX2
SCHEMBL4711732 0.77 EPHX2 (0.41) ALDH1A1L3MBTL1CNR2MEN1KMT2A
SCHEMBL4712564 0.76 EPHX2 (0.46) ALDH1A1L3MBTL1CNR2MEN1KMT2A
SCHEMBL4712065 0.75 EPHX2 (0.45) CNR2MEN1KMT2AEPHX2FAAH

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 ALDH1A1 225/4885L3MBTL1 4034/4885GLA 1490/4885

“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.