SCHEMBL25906332

SCHEMBL25906332

CC(=O)Cc1cc(C(C)C)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.49
HSP90AA1 P07900 2/20 0.47
HSP90AB1 P08238 2/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 3/20 0.47
GAA P10253 3/20 0.47
ALOX12 P18054 2/20 0.47
HIF1A Q16665 1/20 0.47
TYR P14679 3/20 0.44
TRPA1 O75762 1/20 0.44
PTGS1 P23219 1/20 0.44
CACNA1C Q13936 1/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
PKM P14618 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 2/20 0.41
MDM4 O15151 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL17026838 0.86 TRPA1 (0.48) RNASEH1HSP90AA1HSP90AB1ALDH1A1HTT
SCHEMBL12172236 0.84 ALDH1A1 (0.50) RNASEH1HSP90AA1HSP90AB1ALDH1A1HTT
SCHEMBL25906333 0.83 HSP90AA1 (0.49) RNASEH1HSP90AA1HSP90AB1ALDH1A1HTT
SCHEMBL12035991 0.82 ALDH1A1 (0.47) RNASEH1HSP90AA1HSP90AB1ALDH1A1HTT
SCHEMBL5167176 0.81 RNASEH1 (0.55) RNASEH1HSP90AA1HSP90AB1ALDH1A1HTT
SCHEMBL19289761 0.81 SMN1; SMN2 (0.40) RNASEH1HSP90AA1HSP90AB1ALDH1A1HTT
SCHEMBL29260542 0.80 ALDH1A1 (0.48) RNASEH1HSP90AA1HSP90AB1ALDH1A1HTT
SCHEMBL50460 0.79 ALDH1A1 (0.55) RNASEH1HSP90AA1HSP90AB1ALDH1A1HTT
SCHEMBL25906366 0.78 RNASEH1 (0.41) RNASEH1HSP90AA1HSP90AB1ALDH1A1HTT
SCHEMBL24535921 0.77 AGBL2 (0.40) RNASEH1HSP90AA1HSP90AB1ALDH1A1GAA

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-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 US disclosed
US-8999966-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
US-20130237518-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP 2013-09-12 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 (2 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-20130237518-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 RNASEH1 3690/4885HSP90AA1 1983/4885HSP90AB1 1077/4885
US-11713335-B2 Aminocoumarin compounds and methods of their use AAAS, PROC, AADAC RNASEH1 2502/4885HSP90AA1 1344/4885HSP90AB1 1341/4885

“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.