SCHEMBL4452066

SCHEMBL4452066

[CH](c1ccc(C2CCCCC2)cc1)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC1 Q13547 1/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
NOTUM Q6P988 2/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CYP11B2 P19099 1/20 0.41
HAO1 Q9UJM8 1/20 0.41
ESR2 Q92731 6/20 0.40
ESR1 P03372 5/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL11318751 0.86 HDAC8 (0.47) HTTLMNAHDAC8HDAC6HDAC1
SCHEMBL11318771 0.86 HDAC8 (0.47) HTTLMNAHDAC8HDAC6HDAC1
SCHEMBL6275125 0.84 HDAC8 (0.52) HTTLMNAHDAC8HDAC6HDAC1
SCHEMBL28584923 0.84 HDAC8 (0.52) HTTLMNAHDAC8HDAC6HDAC1
SCHEMBL42782 0.84 HDAC8 (0.52) HTTLMNAHDAC8HDAC6HDAC1
SCHEMBL15260520 0.84 HDAC8 (0.52) HTTLMNAHDAC8HDAC6HDAC1
SCHEMBL10013047 0.84 HTT (0.42) HTTLMNAHDAC8HDAC6HDAC1
SCHEMBL9831627 0.82 HTT (0.41) HTTLMNAHDAC8HDAC6HDAC1
SCHEMBL9831633 0.82 ALDH1A1 (0.48) HTTLMNAHDAC8HDAC6HDAC1
SCHEMBL10492686 0.82 HDAC8 (0.44) HTTLMNAHDAC8HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287695-A1 Agent For Optical Resolution, Process For Producing Optically Active Substance and 1,5-Substituted Bicyclo [3.3.0] -2-Oxaoctane Compound ZEON CORPORATION (JP) 2008-11-20 US claimed
EP-1719746-A1 OPTICAL RESOLVER, PROCESS FOR PRODUCING OPTICALLY ACTIVE ISOMER, AND 1,5-SUBSTITUTED BICYCLO (3.3.0) -2-OXAOCTANE COMPOUND ZEON CORPORATION (JP) 2006-11-08 EP claimed
EP-1719746-A4 OPTICAL RESOLVER, PROCESS FOR PRODUCING OPTICALLY ACTIVE ISOMER, AND 1,5-SUBSTITUTED BICYCLO (3.3.0) -2-OXAOCTANE COMPOUND ZEON CORP (JP) 2009-04-15 EP disclosed
US-20080287695-A1 Agent For Optical Resolution, Process For Producing Optically Active Substance and 1,5-Substituted Bicyclo [3.3.0] -2-Oxaoctane Compound ZEON CORPORATION (JP) 2008-11-20 US disclosed
US-20080287695-A1 Agent For Optical Resolution, Process For Producing Optically Active Substance and 1,5-Substituted Bicyclo [3.3.0] -2-Oxaoctane Compound ZEON CORPORATION (JP) 2008-11-20 US disclosed
EP-1719746-A1 OPTICAL RESOLVER, PROCESS FOR PRODUCING OPTICALLY ACTIVE ISOMER, AND 1,5-SUBSTITUTED BICYCLO (3.3.0) -2-OXAOCTANE COMPOUND ZEON CORPORATION (JP) 2006-11-08 EP disclosed
EP-1719746-A1 OPTICAL RESOLVER, PROCESS FOR PRODUCING OPTICALLY ACTIVE ISOMER, AND 1,5-SUBSTITUTED BICYCLO (3.3.0) -2-OXAOCTANE COMPOUND ZEON CORPORATION (JP) 2006-11-08 EP disclosed
WO-2005080300-A1 OPTICAL RESOLVER, PROCESS FOR PRODUCING OPTICALLY ACTIVE ISOMER, AND 1,5-SUBSTITUTED BICYCLO[3.3.0]-2-OXAOCTANE COMPOUND ZEON CORPORATION (JP) 2005-09-01 WO disclosed
US-6358665-B1 ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE CLARIANT INTERNATIONAL LTD. (CH) 2002-03-19 US disclosed
EP-1033624-A1 RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE Clariant International Ltd. (CH) 2000-09-06 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-20080287695-A1 Agent For Optical Resolution, Process For Producing Optically Active Substance and 1,5-Substituted Bicyclo [3.3.0] -2-Oxaoctane Compound ALDH1A2, OXER1, HCRTR1 HTT 3794/4885LMNA 1763/4885HDAC8 2060/4885

“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.