SCHEMBL3840984

SCHEMBL3840984

CC(=O)[C@]1(C)CCC(CCC=C(C)C)=C[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.39
FNTA P49354 2/20 0.37
PKM P14618 1/20 0.37
PGGT1B P53609 1/20 0.37
MCL1 Q07820 9/20 0.36
BCL2L1 Q07817 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCL2 P10415 7/20 0.33
FNTB P49356 1/20 0.33
NR1H4 Q96RI1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3840987 1.00 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL13714694 1.00 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL13273469 0.81 MEN1 (0.38) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL13273467 0.77 MEN1 (0.35) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL13273470 0.77 MEN1 (0.35) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL15519641 0.77 MEN1 (0.35) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL2574409 0.77 MEN1 (0.35) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL8673414 0.77 MEN1 (0.35) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL3015208 0.75 MEN1 (0.36) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL7179918 0.72 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTFNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853542-B1 PROCESS FOR THE PREPARATION OF CIS-2-ACETYL-1,2,3,4,5,6,7,8-OCTAHYDRO-1,2,8,8-TETRAMETHYLNAPHTHALENE GIVAUDAN SA (CH) 2015-07-15 EP claimed
US-7569732-B2 Cyclisation process GIVAUDAN SA (CH) 2009-08-04 US claimed
US-20080114189-A1 Cyclisation Process GIVAUDAN SA (CH) 2008-05-15 US claimed
EP-1853542-B1 PROCESS FOR THE PREPARATION OF CIS-2-ACETYL-1,2,3,4,5,6,7,8-OCTAHYDRO-1,2,8,8-TETRAMETHYLNAPHTHALENE GIVAUDAN SA (CH) 2015-07-15 EP disclosed
CN-101124190-B Process for the preparation of cis-2-acetyl-1, 2, 3, 4, 5, 6, 7, 8-octahydro-1, 2, 8, 8-tetramethylnaphthalene GIVAUDAN SA 2011-01-19 CN disclosed
EP-1656384-B1 PROCESS FOR THE PREPARATION OF METHYLALUMINIUM DICHLORIDE GIVAUDAN SA (CH) 2009-10-14 EP disclosed
US-7569732-B2 Cyclisation process GIVAUDAN SA (CH) 2009-08-04 US disclosed
US-7569732-B2 Cyclisation process GIVAUDAN SA (CH) 2009-08-04 US disclosed
US-20080114189-A1 Cyclisation Process GIVAUDAN SA (CH) 2008-05-15 US disclosed
US-20080114189-A1 Cyclisation Process GIVAUDAN SA (CH) 2008-05-15 US disclosed
CN-101124190-A Process for the preparation of cis-2-acetyl-1, 2, 3, 4, 5, 6, 7, 8-octahydro-1, 2, 8, 8-tetramethylnaphthalene GIVAUDAN SA (CH) 2008-02-13 CN disclosed
EP-1853542-A1 PROCESS FOR THE PREPARATION OF CIS-2-ACETYL-1,2,3,4,5,6,7,8-OCTAHYDRO-1,2,8,8-TETRAMETHYLNAPHTHALENE Givaudan SA (CH) 2007-11-14 EP disclosed
WO-2006086908-A1 PROCESS FOR THE PREPARATION OF CIS-2-ACETYL-1, 2, 3, 4, 5, 6, 7, 8-OCTAHYDRO-1, 2, 8, 8-TETRAMETHYLNAPHTHALENE GIVAUDAN SA (CH) 2006-08-24 WO 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-20080114189-A1 Cyclisation Process GGPS1, ECH1, ALG8 MEN1 897/4885KMT2A 3486/4885ALDH1A1 285/4885

“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.