SCHEMBL3210038

SCHEMBL3210038

Cc1ccc(-c2c(O)cccc2CC(=O)OCC2C3CCC2C[N+](C)(C)C3)cc1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL3226901 0.88 KMT2A (0.34) ALDH1A1
SCHEMBL3216763 0.86 PKM (0.31) ALDH1A1TSHR
SCHEMBL3216737 0.85 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL3216731 0.81 S1PR1 (0.41) ALDH1A1
SCHEMBL3213550 0.79 KMT2A (0.35) ALDH1A1TSHR
SCHEMBL3222038 0.79 L3MBTL1 (0.38) ALDH1A1
SCHEMBL3226736 0.75 NAAA (0.36)
SCHEMBL4984736 0.72 LMNA (0.31)
SCHEMBL4887267 0.70 AKR1B1 (0.55) ALDH1A1
SCHEMBL3219719 0.69 CHRM3 (0.33) ALDH1A1

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-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-03-04 US claimed
EP-2059505-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2009-05-20 EP claimed
WO-2008029349-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-03-13 WO claimed
US-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-03-04 US 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-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 ALDH1A1 2093/4885TSHR 170/4885

“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.