SCHEMBL5372255

SCHEMBL5372255

CCC(C)CCc1ccc2c(c1)OCC(=O)CO2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HPGD P15428 1/20 0.40
CYP2D6 P10635 1/20 0.38
PARP1 P09874 1/20 0.38
SCN9A Q15858 1/20 0.37
CMA1 P23946 1/20 0.37

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
SCHEMBL180328 0.87 TAAR1 (0.43) TAAR1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL5381801 0.85 TAAR1 (0.49) TAAR1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL20382761 0.85 TAAR1 (0.44) TAAR1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL1292060 0.82 TAAR1 (0.46) TAAR1SLC6A2SLC6A4SLC6A3PARP1
SCHEMBL5372792 0.81 GRIN2D (0.43) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5377511 0.80 TAAR1 (0.47) TAAR1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL6570432 0.79 TAAR1 (0.44) TAAR1PARP1CMA1
SCHEMBL6567451 0.78 PARP1 (0.57) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5386460 0.78 TAAR1 (0.46) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL1292108 0.78 ALOX5 (0.46) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235519-B2 1,2-substituted 2,3-dehydro-1H-5,9-dioxyacyclohepta[f]inden-7-ones and 7-substituted benzo[b]dioxepin-3-ones GIVAUDAN SA (CH) 2007-06-26 US claimed
US-20050288518-A1 1,2-Substituted 2,3-dehydro-1H-5,9-dioxyacyclohepta[f]inden-7-ones and 7-substituted benzo[b]dioxepin-3-ones GIVAUDAN SA (CH) 2005-12-29 US claimed
US-20030207788-A1 1,2 Substituted 2,3-dihydro- 1H-5,9 dioxacyclohepta[F]indden-7-ones and 7-substituted benzo[B][1,4]dioxepin-3 ones GIVADUAN SA, CHEMIN DE LA PARFUMERIE (CH) 2003-11-06 US claimed
EP-1136481-B1 1,2-Substituted 2,3-dihydro-1H-5,9-dioxacyclohepta[f]inden-7-ones and 7-substituted benzo[b][1,4]dioxepin-3-ones GIVAUDAN SA (CH) 2002-11-13 EP claimed
US-20010044407-A1 Use in fragrance compositions; marine odor GIVAUDAN SA (CH) 2001-11-22 US claimed
EP-1136481-A1 1,2-Substituted 2,3-dihydro-1H-5,9-dioxacyclohepta[f]inden-7-ones and 7-substituted benzo[b][1,4]dioxepin-3-ones Givaudan SA (CH) 2001-09-26 EP claimed
US-7235519-B2 1,2-substituted 2,3-dehydro-1H-5,9-dioxyacyclohepta[f]inden-7-ones and 7-substituted benzo[b]dioxepin-3-ones GIVAUDAN SA (CH) 2007-06-26 US disclosed
US-7235519-B2 1,2-substituted 2,3-dehydro-1H-5,9-dioxyacyclohepta[f]inden-7-ones and 7-substituted benzo[b]dioxepin-3-ones GIVAUDAN SA (CH) 2007-06-26 US disclosed
US-7235519-B2 1,2-substituted 2,3-dehydro-1H-5,9-dioxyacyclohepta[f]inden-7-ones and 7-substituted benzo[b]dioxepin-3-ones GIVAUDAN SA (CH) 2007-06-26 US disclosed
US-7022664-B2 1,2 Substituted 2,3-dihydro-1H-5,9 dioxacyclohepta[F]indden-7-ones and 7-substituted benzo[B][1,4]dioxepin-3-ones GIVAUDAN SA (CH) 2006-04-04 US disclosed
EP-1405851-A1 Method for producing seven-membered diether compounds and intermediates thereof Takasago International Corporation (JP) 2004-04-07 EP disclosed
US-20030207788-A1 1,2 Substituted 2,3-dihydro- 1H-5,9 dioxacyclohepta[F]indden-7-ones and 7-substituted benzo[B][1,4]dioxepin-3 ones GIVADUAN SA, CHEMIN DE LA PARFUMERIE (CH) 2003-11-06 US disclosed
EP-1136481-B1 1,2-Substituted 2,3-dihydro-1H-5,9-dioxacyclohepta[f]inden-7-ones and 7-substituted benzo[b][1,4]dioxepin-3-ones GIVAUDAN SA (CH) 2002-11-13 EP disclosed
US-20010044407-A1 Use in fragrance compositions; marine odor GIVAUDAN SA (CH) 2001-11-22 US disclosed
EP-1136481-A1 1,2-Substituted 2,3-dihydro-1H-5,9-dioxacyclohepta[f]inden-7-ones and 7-substituted benzo[b][1,4]dioxepin-3-ones Givaudan SA (CH) 2001-09-26 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 (3 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-20030207788-A1 1,2 Substituted 2,3-dihydro- 1H-5,9 dioxacyclohepta[F]indden-7-ones and 7-substituted benzo[B][1,4]dioxepin-3 ones CYP1B1, CYP1A1, CYP4B1 TAAR1 1988/4885SLC6A2 4823/4885SLC6A4 3826/4885
US-20010044407-A1 Use in fragrance compositions; marine odor OPRD1, TRPA1, DBN1 TAAR1 1432/4885SLC6A2 4856/4885SLC6A4 3968/4885
US-20050288518-A1 1,2-Substituted 2,3-dehydro-1H-5,9-dioxyacyclohepta[f]inden-7-ones and 7-substituted benzo[b]dioxepin-3-ones CYP1B1, CYP1A1, SULT1E1 TAAR1 2549/4885SLC6A2 4802/4885SLC6A4 3650/4885

“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.