SCHEMBL3224062

SCHEMBL3224062

C[N+]1(Cc2ccccc2)CC2CCC(C1)C2COC(=O)Cc1cccc(C2CCCCC2)c1O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
MGLL Q99685 2/20 0.31
PTPN5 P54829 2/20 0.31
PTPN2 P17706 1/20 0.31
POLB P06746 1/20 0.30
CHRM3 P20309 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL3213581 0.88 NAAA (0.36) NAAAPTGDR2PTPN5PTPN2
SCHEMBL3226736 0.88 NAAA (0.36) NAAAPTGDR2PTPN5PTPN2
SCHEMBL3205175 0.81 BCHE (0.37) NAAAPTGDR2
SCHEMBL3217075 0.81 BCHE (0.37) NAAAPTGDR2
SCHEMBL4179654 0.80 BCHE (0.38)
SCHEMBL3219719 0.80 CHRM3 (0.33) ALDH1A1MAPTCHRM3
SCHEMBL3201464 0.80 NAAA (0.36) NAAAPTGDR2PTPN5PTPN2
SCHEMBL3222108 0.80 NAAA (0.36) NAAAPTGDR2PTPN5PTPN2
SCHEMBL3226901 0.78 KMT2A (0.34) ALDH1A1MGLLCHRM3
SCHEMBL4885118 0.74 DRD2 (0.41) NAAAPTGDR2MAPT

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 NAAA 1493/4885PTGDR2 297/4885ALDH1A1 2093/4885

“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.