SCHEMBL68378

SCHEMBL68378

Oc1cc(O)c(C2CCCCC2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.44
NUDT1 P36639 1/20 0.44
BACE1 P56817 1/20 0.44
THRB P10828 1/20 0.41
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CEL P19835 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2C P28335 1/20 0.36
PTGDR Q13258 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
PTGER2 P43116 1/20 0.36
ACMSD Q8TDX5 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL18587581 0.83 LMNA (0.42) HSP90AA1NUDT1BACE1THRBTSHR
SCHEMBL7760634 0.83 NUDT1 (0.52) HSP90AA1NUDT1BACE1THRBCEL
SCHEMBL4963655 0.83 NUDT1 (0.47) HSP90AA1NUDT1BACE1THRBKDM4E
SCHEMBL616922 0.81 HSP90AA1 (0.41) HSP90AA1THRBTSHRHPGDHSD17B10
SCHEMBL18587643 0.77 LMNA (0.43) HSP90AA1NUDT1BACE1THRBHPGD
SCHEMBL16736883 0.77 HTR2C (0.35) HSP90AA1NUDT1BACE1THRBTSHR
SCHEMBL16736822 0.77 LMNA (0.40) HSP90AA1NUDT1BACE1THRBPTGDR
SCHEMBL11590666 0.76 NUDT1 (0.46) HSP90AA1NUDT1BACE1THRBKDM4E
SCHEMBL4878435 0.74 NUDT1 (0.54) HSP90AA1NUDT1BACE1THRBTSHR
SCHEMBL561154 0.74 NUDT1 (0.54) HSP90AA1NUDT1BACE1THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010165-A2 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE Allergan, Inc. (US) 2009-01-07 EP claimed
WO-2007127711-A2 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2007-11-08 WO claimed
US-20070249596-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. 2007-10-25 US claimed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
EP-2123264-A1 Heterocyclic derivatives as abnormal cannabidiols agents for lowering intraocular pressure Allergan, Inc. (US) 2009-11-25 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 (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-20070249596-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE CNR2, CNR1, PTGIR HSP90AA1 4482/4885NUDT1 3611/4885BACE1 868/4885
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 HSP90AA1 106/4885NUDT1 3243/4885BACE1 4856/4885

“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.