SCHEMBL180328

SCHEMBL180328

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
CYP2D6 P10635 1/20 0.41
CMA1 P23946 1/20 0.40
HPGD P15428 1/20 0.39
CALM1 P0DP23 1/20 0.38

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
SCHEMBL5372792 0.91 GRIN2D (0.43) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL5372255 0.87 TAAR1 (0.40) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL20165797 0.84 TAAR1 (0.53) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL8294114 0.83 TAAR1 (0.61) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL1292060 0.82 TAAR1 (0.46) TAAR1SLC6A4SLC6A2SLC6A3CMA1
SCHEMBL2995202 0.81 TAAR1 (0.45) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL9959103 0.79 TAAR1 (0.44) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL6570432 0.79 TAAR1 (0.44) TAAR1CMA1CALM1
SCHEMBL6567451 0.78 PARP1 (0.57) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL1292108 0.78 ALOX5 (0.46) TAAR1CALM1

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 347 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695016-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2026-02-18 EP claimed
EP-4655373-A1 BIODEGRADABLE PERFUME COMPOSITION Givaudan SA (CH) 2025-12-03 EP claimed
EP-4581114-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Novozymes A/S (DK) 2025-07-09 EP claimed
WO-2024213536-A1 FRAGRANCE COMPOSITION GIVAUDAN SA (CH) 2024-10-17 WO claimed
WO-2024213507-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-10-17 WO claimed
EP-4446001-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2024-10-16 EP claimed
US-20240301331-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-09-12 US claimed
WO-2024156688-A1 BIODEGRADABLE PERFUME COMPOSITION GIVAUDAN SA (CH) 2024-08-02 WO claimed
EP-4407019-A1 BIODEGRADABLE PERFUME COMPOSITION Givaudan SA (CH) 2024-07-31 EP claimed
US-11944727-B2 Air freshening device GIVAUDAN SA (CH) 2024-04-02 US claimed
WO-2013053102-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-04-18 WO claimed
US-20100152083-A1 Perfume Systems PROCTER & GAMBLE COMPANY, THE 2010-06-17 US claimed
EP-2129758-A2 PERFUME COMPOSITIONS Givaudan Nederland Services B.V. (NL) 2009-12-09 EP claimed
WO-2008104352-A2 PERFUME COMPOSITIONS GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-09-04 WO 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 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

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 1988/4885SLC6A4 3826/4885SLC6A2 4823/4885
US-20010044407-A1 Use in fragrance compositions; marine odor OPRD1, TRPA1, DBN1 TAAR1 1432/4885SLC6A4 3968/4885SLC6A2 4856/4885
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 2549/4885SLC6A4 3650/4885SLC6A2 4802/4885

“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.