SCHEMBL6356446

SCHEMBL6356446

CCOC(=O)C(C(=O)O)=C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.39
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
GRIK3 Q13003 1/20 0.36
GRIK5 Q16478 1/20 0.36
MAPT P10636 3/20 0.36
EGLN1 Q9GZT9 1/20 0.35
ALDH1A1 P00352 7/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
CYP2D6 P10635 1/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 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
SCHEMBL13269286 0.90 ALDH1A1 (0.39) KMT2AMEN1MAPTEGLN1ALDH1A1
SCHEMBL3179017 0.90 MAPT (0.38) GRIK1KMT2AMEN1MAPTEGLN1
SCHEMBL13269472 0.88 ALDH1A1 (0.41) KMT2AMEN1MAPTEGLN1ALDH1A1
SCHEMBL3200633 0.88 MAPT (0.39) KMT2AMEN1MAPTEGLN1ALDH1A1
SCHEMBL14899076 0.85 MAPT (0.45) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL450892 0.84 MAPT (0.39) KMT2AMEN1MAPTEGLN1ALDH1A1
SCHEMBL14899078 0.83 MAPT (0.46) KMT2AMEN1MAPTEGLN1ALDH1A1
SCHEMBL2045397 0.80 ALDH1A1 (0.42) KMT2AMEN1MAPTEGLN1ALDH1A1
SCHEMBL9819391 0.77 GRIK1 (0.36) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL15492519 0.77 FAAH (0.51) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250800-A1 Conformationally constrained compounds as pharmaceutical agents BRYANS JUSTIN S 2005-11-10 US disclosed
EP-1311470-B1 UNSATURATED ESTERS AND THEIR USE IN FRAGRANCE AND FLAVOUR COMPOSITIONS GIVAUDAN SA (CH) 2004-11-03 EP disclosed
US-20040023839-A1 Unsaturated esters and their use in fragance and flavour compositions GIVAUDAN SA (CH) 2004-02-05 US disclosed
US-20030119858-A1 Conformationally constrained compounds as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2003-06-26 US disclosed
EP-1311470-A1 UNSATURATED ESTERS AND THEIR USE IN FRAGRANCE AND FLAVOUR COMPOSITIONS Givaudan SA (CH) 2003-05-21 EP disclosed
US-6489352-B2 ANTIEPILEPTIC AGENTS; NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY 2002-12-03 US disclosed
WO-2002016307-A1 UNSATURATED ESTERS AND THEIR USE IN FRAGRANCE AND FLAVOUR COMPOSITIONS GIVAUDAN SA (CH) 2002-02-28 WO disclosed
EP-1182190-A1 Unsaturated esters Givaudan SA (CH) 2002-02-27 EP disclosed
US-20020019540-A1 Conformationally constrained compounds as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2002-02-14 US disclosed
US-6316638-B1 FOR THERAPY OF EPILEPSY, FAINTNESS ATTACKS, HYPOKINESIA, CRANIAL DISORDERS, NEURODEGENERATIVE DISORDERS, DEPRESSION, ANXIETY, PANIC, PAIN, AND NEUROPATHOLOGICAL DISORDERS WARNER-LAMBERT COMPANY 2001-11-13 US disclosed
EP-1082306-A1 CONFORMATIONALLY CONSTRAINED AMINO ACID COMPOUNDS HAVING AFFINITY FOR THE ALPHA2DELTA SUBUNIT OF A CALCIUM CHANNEL WARNER-LAMBERT COMPANY (US) 2001-03-14 EP disclosed
WO-1999061424-A1 CONFORMATIONALLY CONSTRAINED AMINO ACID COMPOUNDS HAVING AFFINITY FOR THE ALPHA2DELTA SUBUNIT OF A CALCIUM CHANNEL WARNER-LAMBERT COMPANY (US) 1999-12-02 WO disclosed
EP-0358092-B1 2-AZA-4-(ALKOXYCARBONYL)SPIRO-(4,5)DECAN-3-ONE LONZA A.G. (CH) 1991-12-11 EP disclosed
US-4958044-A 2-aza-4-(alkoxycarbonyl)spiro[4,5]-decan-3-one LONZA LTD. (CH) 1990-09-18 US disclosed
US-4956473-A ANTICONVULSANTS LONZA LTD. (CH) 1990-09-11 US disclosed
EP-0358092-A1 2-Aza-4-(alkoxycarbonyl)spiro-(4,5)decan-3-one LONZA A.G. (CH) 1990-03-14 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 (4 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-20050250800-A1 Conformationally constrained compounds as pharmaceutical agents PYGB, GABRA6, GABRA2 GRIK1 90/4885KMT2A 2184/4885MEN1 1848/4885
US-20020019540-A1 Conformationally constrained compounds as pharmaceutical agents PYGB, SLC18A1, CDR2 GRIK1 46/4885KMT2A 2225/4885MEN1 981/4885
US-20040023839-A1 Unsaturated esters and their use in fragance and flavour compositions ELOVL5, FFAR3, ELOVL1 GRIK1 76/4885KMT2A 4256/4885MEN1 4477/4885
US-20030119858-A1 Conformationally constrained compounds as pharmaceutical agents PYGB, SLC18A1, CDR2 GRIK1 46/4885KMT2A 2225/4885MEN1 981/4885

“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.