SCHEMBL733080

SCHEMBL733080

CCOc1c[c]cc(OCC)c1-c1cnoc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AOC3 Q16853 2/20 0.32
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL732774 0.75 TSHR (0.44) LMNA
SCHEMBL730889 0.75 GRM5 (0.39) AOC3
SCHEMBL730974 0.73 S1PR1 (0.42) SMN1; SMN2
SCHEMBL732594 0.72 TTK (0.37) LMNAAOC3
SCHEMBL16363831 0.71 PTPRC (0.47) SMN1; SMN2
SCHEMBL731429 0.70 ALDH1A1 (0.42) LMNASMN1; SMN2
SCHEMBL730668 0.70 KDM4E (0.39)
SCHEMBL733129 0.69 LRRK2 (0.39)
SCHEMBL730763 0.67 KIT (0.37)
SCHEMBL731170 0.66 PLAU (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 LMNA 2503/4885SMN1; SMN2 3531/4885AOC3 94/4885

“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.