SCHEMBL5375002

SCHEMBL5375002

CC1CCc2cc3c(cc21)OCC(=O)CO3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
GLA P06280 2/20 0.36
HPGD P15428 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2D6 P10635 2/20 0.36
CHRNA7 P36544 3/20 0.35
GAA P10253 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CYP3A4 P08684 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 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
SCHEMBL5382237 0.83 KDM4E (0.36) ACHEALDH1A1KDM4EGLAHPGD
SCHEMBL14486369 0.77 KDM4E (0.45) ACHEALDH1A1KDM4EGLAHPGD
SCHEMBL6075955 0.73 HTR1A (0.39) ACHECYP3A4HTR1A
SCHEMBL6101436 0.70 GRIN2D (0.40) ACHEALDH1A1KDM4ECHRNA7MEN1
SCHEMBL25206308 0.66 PTGS2 (0.39) CASP1CASP7HSD17B10MEN1KMT2A
SCHEMBL6570348 0.65 IMPDH2 (0.39) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL5373765 0.65 MAOA (0.58) KDM4EHSD17B10CYP2C9DRD2DRD3
SCHEMBL30042409 0.65 HTR2C (0.35) KDM4EHSD17B10CYP2C9DRD2DRD3
SCHEMBL15858421 0.63 HTR1A (0.46) ACHEALDH1A1KDM4EGLAHPGD
SCHEMBL12058460 0.62 LRRK2 (0.43) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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-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
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 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 ACHE 3214/4885ALDH1A1 46/4885KDM4E 873/4885
US-20010044407-A1 Use in fragrance compositions; marine odor OPRD1, TRPA1, DBN1 ACHE 1785/4885ALDH1A1 714/4885KDM4E 1764/4885
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 ACHE 2615/4885ALDH1A1 91/4885KDM4E 871/4885

“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.