Sugi Predict

Sugi Predict / Compounds / SCHEMBL5372803

SCHEMBL5372803

SCHEMBL5372803

CCCCCCc1ccc2c(c1)OCC(=O)CO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.48
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.44
▸ TRPV1 Q8NER1 2/20 0.43
▸ KAT8 Q9H7Z6 2/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ DYRK2 Q92630 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.41
▸ CALM1 P0DP23 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ SHBG P04278 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ADRA2A P08913 1/20 0.41

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
SCHEMBL5385068 1.00 ALOX5 (0.48) ALOX5HDAC1HDAC3HDAC2HDAC6
SCHEMBL1292108 0.98 ALOX5 (0.46) ALOX5HDAC1HDAC3HDAC2HDAC6
SCHEMBL6570432 0.94 TAAR1 (0.44) ALOX5HDAC1HDAC3HDAC2HDAC6
SCHEMBL1292060 0.87 TAAR1 (0.46) TAAR1CALM1ALDH1A1CYP3A4SLC6A2
SCHEMBL11862122 0.84 TAAR1 (0.59) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL30712274 0.84 TAAR1 (0.59) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL15272035 0.84 TAAR1 (0.59) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL11696002 0.84 TAAR1 (0.59) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL28945271 0.84 TAAR1 (0.59) HDAC1HDAC3HDAC2HDAC6HDAC8
SCHEMBL15178307 0.82 TAAR1 (0.61) HDAC1HDAC3HDAC2HDAC6HDAC8

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-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
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
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 ALOX5 414/4885HDAC1 1011/4885HDAC3 803/4885
US-20010044407-A1 Use in fragrance compositions; marine odor OPRD1, TRPA1, DBN1 ALOX5 75/4885HDAC1 2060/4885HDAC3 875/4885
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 ALOX5 83/4885HDAC1 1378/4885HDAC3 930/4885

“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.