SCHEMBL6515860

SCHEMBL6515860

CC(N)CCNc1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.62
CA4 P22748 2/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
CA14 Q9ULX7 2/20 0.62
CA3 P07451 1/20 0.62
CA6 P23280 1/20 0.62
CA5A P35218 1/20 0.62
CA5B Q9Y2D0 1/20 0.62
ALDH1A1 P00352 7/20 0.60
TSHR P16473 3/20 0.60
HSD17B10 Q99714 3/20 0.60
RECQL P46063 1/20 0.60
KDM4E B2RXH2 7/20 0.53
HPGD P15428 5/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
KEAP1 Q14145 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL31235643 0.86 CA12 (0.61) CA12CA4CA7CA9CA14
SCHEMBL18103393 0.86 CA12 (0.61) CA12CA4CA7CA9CA14
Hydrochloric Acid SCHEMBL9850532 0.85 ALDH1A1 (0.67) CA12CA4CA7CA9CA14
SCHEMBL11283741 0.80 CA12 (0.77) CA12CA4CA7CA9CA14
SCHEMBL1956867 0.79 CA12 (0.61) CA12CA4CA7CA9CA14
Hydrochloric Acid SCHEMBL4443499 0.78 ALDH1A1 (0.78) CA12CA4CA7CA9CA14
SCHEMBL13995633 0.78 CA12 (0.54) CA12CA4CA7CA9CA14
SCHEMBL959196 0.77 CA12 (0.67) CA12CA4CA7CA9CA14
SCHEMBL233681 0.77 CA12 (1.00) CA12CA4CA7CA9CA14
SCHEMBL31268310 0.77 CA12 (0.67) CA12CA4CA7CA9CA14

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-6872843-B2 Non-metallocene compounds, method for the production thereof and use of the same for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2005-03-29 US disclosed
US-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins EQUISTAR CHEMICALS, LP 2004-02-05 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-20040023940-A1 Non-metallocene compounds, method for the production thereof and use of the same for the polymerisation of olefins SOAT2, NOTUM, SOAT1 CA12 1418/4885CA4 844/4885CA7 1834/4885

“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.