SCHEMBL6101436

SCHEMBL6101436

O=C1COc2cc3c(cc2OC1)CCC3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
CDC25B P30305 1/20 0.37
MAPT P10636 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
CYP2A6 P11509 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 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
SCHEMBL25209908 0.77 CDC25B (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1618660 0.75 CHRNA7 (0.50) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6570348 0.71 IMPDH2 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10163669 0.70 CHRNA7 (0.50) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5375002 0.70 ACHE (0.38) MAPTSMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL25203319 0.68 CDC25B (0.38) CDC25B
SCHEMBL1243457 0.67 KDM4E (0.54) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5674339 0.67 MEN1 (0.50) KDM4EMAOAMAOBCYP2A6MAPK1
SCHEMBL868520 0.65 ABCG2 (0.52) NPC1RAB9ASMN1; SMN2MAOAMAOB
SCHEMBL12988342 0.65 BLM (0.57) MAPTNPC1RAB9AMAOBTDP1

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 4 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 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
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 (1 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 GRIN2D 2568/4885GRIN3B 3485/4885GRIN1 3394/4885

“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.