SCHEMBL732887

SCHEMBL732887

COc1cc(C(=O)O)cc2c1ccn2-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA3 P07451 1/20 0.45
PKM P14618 1/20 0.45
CA5A P35218 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
TPMT P51580 2/20 0.44
TTR P02766 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 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
SCHEMBL30009723 0.78 FGFR1 (0.44) PKMTTRKDM4EFGFR1NOTUM
SCHEMBL23217889 0.78 FGFR1 (0.44) PKMTTRKDM4EFGFR1NOTUM
SCHEMBL308598 0.78 CA12 (0.49) CA12CA1CA2CA4CA6
SCHEMBL309984 0.76 TUBB4A (0.50) CA12CA1CA2CA4CA6
SCHEMBL308481 0.74 CA12 (0.44) CA12CA1CA2CA4CA6
SCHEMBL30010282 0.73 FGFR1 (0.47) PKMKDM4EMAPTL3MBTL1MAPK8
SCHEMBL21439171 0.73 FGFR1 (0.47) PKMKDM4EMAPTL3MBTL1MAPK8
SCHEMBL18288064 0.71 ALOX15 (0.55) CA12CA1CA2CA4CA6
SCHEMBL1494701 0.71 NOTUM (0.49) CA12CA1CA2CA7CA9
SCHEMBL28857298 0.71 CA1 (0.69) CA12CA1CA2CA4CA6

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
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 CA12 3525/4885CA1 2203/4885CA2 1987/4885

“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.