SCHEMBL21133726

SCHEMBL21133726

CC(C)c1cc2ccc(=O)[nH]c2cc1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.52
CA9 Q16790 2/20 0.52
F11 P03951 1/20 0.47
MAPK1 P28482 4/20 0.46
CA1 P00915 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
EIF4A3 P38919 2/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
AR P10275 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL21133815 0.87 CA12 (0.41) CA12CA9F11MAPK1CA1
SCHEMBL12546048 0.87 CA12 (0.51) CA12CA9F11MAPK1CA1
SCHEMBL13394517 0.86 EIF4A3 (0.48) CA12CA9F11MAPK1CA1
SCHEMBL12569580 0.78 CA12 (0.40) CA12CA9F11MAPK1CA1
SCHEMBL12589456 0.77 EIF4A3 (0.56) CA12CA9F11MAPK1CA1
SCHEMBL17951770 0.77 MAPK1 (0.68) CA12CA9F11MAPK1CA1
SCHEMBL2797664 0.76 MAPT (0.59) CA12CA9F11MAPK1CA1
SCHEMBL18080519 0.74 BTK (0.45) CA12CA9F11MAPK1CA1
SCHEMBL2947571 0.74 CA12 (0.62) CA12CA9F11MAPK1CA1
SCHEMBL8896840 0.72 CA12 (0.55) CA12CA9F11MAPK1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344039-B2 Macrocyclic spirocarbamate derivatives as factor XIa inhibitors, pharmaceutically acceptable compositions and their use MERCK SHARP & DOHME CORP. (US) 2019-07-09 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-10344039-B2 Macrocyclic spirocarbamate derivatives as factor XIa inhibitors, pharmaceutically acceptable compositions and their use SERPINC1, PCSK9, KLKB1 CA12 1228/4885CA9 419/4885F11 11/4885

“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.