SCHEMBL6075955

SCHEMBL6075955

CC1Cc2cc3c(cc2C1C)OCC(=O)CO3

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.39
CYP3A4 P08684 1/20 0.39
ACHE P22303 1/20 0.38
TUBB4A P04350 2/20 0.31
TUBB P07437 2/20 0.31
TUBA3C P0DPH7 2/20 0.31
TUBA1B P68363 2/20 0.31
TUBA4A P68366 2/20 0.31
TUBB4B P68371 2/20 0.31
TUBB3 Q13509 2/20 0.31
TUBB2A Q13885 2/20 0.31
TUBB8 Q3ZCM7 2/20 0.31
TUBA3E Q6PEY2 2/20 0.31
TUBA1A Q71U36 2/20 0.31
TUBA1C Q9BQE3 2/20 0.31
TUBB6 Q9BUF5 2/20 0.31
TUBB2B Q9BVA1 2/20 0.31
TUBB1 Q9H4B7 2/20 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
SCHEMBL5375002 0.73 ACHE (0.38) HTR1ACYP3A4ACHE
SCHEMBL11695042 0.72 HTR1A (0.53) HTR1ACYP3A4ACHE
SCHEMBL6101436 0.66 GRIN2D (0.40) ACHE
SCHEMBL6570348 0.65 IMPDH2 (0.39)
SCHEMBL15858421 0.63 HTR1A (0.46) HTR1ACYP3A4ACHE
SCHEMBL11858996 0.62 HTR1A (0.44) HTR1ACYP3A4ACHETUBB4ATUBB
SCHEMBL410055 0.60 OPRM1 (0.44)
SCHEMBL235690 0.60 MMP12 (0.53)
SCHEMBL20921808 0.60 ACHE (0.43) ACHE
SCHEMBL20921756 0.60 ACHE (0.43) ACHE

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 7 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 HTR1A 211/4885CYP3A4 64/4885ACHE 3214/4885
US-20010044407-A1 Use in fragrance compositions; marine odor OPRD1, TRPA1, DBN1 HTR1A 353/4885CYP3A4 250/4885ACHE 1785/4885

“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.