SCHEMBL4916752

SCHEMBL4916752

[CH](c1ccccc1C1CCCCC1)c1ccccc1C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.41
NOS1 P29475 2/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CEL P19835 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR2C P28335 2/20 0.34
CYP11B2 P19099 1/20 0.34
PTPRC P08575 1/20 0.34
PTPRF P10586 1/20 0.34
PTPN1 P18031 1/20 0.34
CDC25B P30305 1/20 0.34
HTR1D P28221 1/20 0.34

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
SCHEMBL164339 0.83 PTGDR2 (0.39) PTGS2PTGDR2NOS1BCHEACHE
SCHEMBL674076 0.83 PTGS2 (0.41) PTGS2PTGDR2BCHEACHEPOLB
SCHEMBL22284134 0.83 MEN1 (0.46) PTGS2PTGDR2BCHEACHEMEN1
SCHEMBL11675315 0.83 MEN1 (0.46) PTGS2PTGDR2BCHEACHEMEN1
SCHEMBL14236917 0.83 MEN1 (0.46) PTGS2PTGDR2BCHEACHEMEN1
SCHEMBL677542 0.83 PTGS2 (0.41) PTGS2PTGDR2BCHEACHEPOLB
SCHEMBL197356 0.83 MEN1 (0.46) PTGS2PTGDR2BCHEACHEMEN1
SCHEMBL21647623 0.83 MEN1 (0.46) PTGS2PTGDR2BCHEACHEMEN1
SCHEMBL14237042 0.83 MEN1 (0.46) PTGS2PTGDR2BCHEACHEMEN1
SCHEMBL42781 0.81 PTGDR2 (0.48) PTGS2PTGDR2NOS1BCHEACHE

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 2 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 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

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 PTGS2 1673/4885PTGDR2 922/4885NOS1 1134/4885

“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.