SCHEMBL3216737

SCHEMBL3216737

Cc1ccc(-c2c(O)cccc2CC(=O)OCC2C3CCC2CN(C)C3)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CHRM3 P20309 4/20 0.32
HRH3 Q9Y5N1 2/20 0.31
BRD4 O60885 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
SCHEMBL3216731 0.86 S1PR1 (0.41) ALDH1A1
SCHEMBL3216763 0.86 PKM (0.31) ALDH1A1TSHRCHRM3
SCHEMBL3210038 0.85 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL3226901 0.80 KMT2A (0.34) ALDH1A1CHRM3
SCHEMBL4620013 0.79 CHRM3 (0.39) ALDH1A1CHRM3
SCHEMBL3201464 0.75 NAAA (0.36)
SCHEMBL3222108 0.75 NAAA (0.36)
SCHEMBL3213550 0.73 KMT2A (0.35) ALDH1A1TSHR
SCHEMBL4984736 0.72 LMNA (0.31)
SCHEMBL4887267 0.70 AKR1B1 (0.55) 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 2 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
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 170/4885CHRM3 1/4885

“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.