SCHEMBL3211520

SCHEMBL3211520

CN(C)Cc1cccc(-c2ccc(-c3cc(C(=O)O)ccc3Cl)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 13/20 0.55
BCL2 P10415 1/20 0.52
TAAR1 Q96RJ0 1/20 0.47
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
CHUK O15111 1/20 0.44
INSR P06213 1/20 0.44
MAPK8 P45983 1/20 0.44
CAMKK2 Q96RR4 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL3221818 0.94 AOC3 (0.50) AOC3BCL2CHUKINSRMAPK8
SCHEMBL3215264 0.89 HRH3 (0.47) TAAR1CHUKINSRMAPK8CAMKK2
SCHEMBL3220302 0.87 TSHR (0.45) TAAR1CHUKINSRMAPK8CAMKK2
SCHEMBL3208925 0.86 BCL2 (0.55) AOC3BCL2
SCHEMBL3205510 0.83 MKNK1 (0.41) AOC3
SCHEMBL3207475 0.80 SMN1; SMN2 (0.50) BCL2
SCHEMBL3200142 0.80 SLC6A2 (0.51)
SCHEMBL3205630 0.80 TSHR (0.55)
SCHEMBL19496819 0.78 AOC3 (0.56) AOC3BCL2TAAR1HSD17B1HSD17B2
SCHEMBL3216304 0.78 EGFR (0.51) HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B AOC3 4773/4885BCL2 290/4885TAAR1 4739/4885

“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.