SCHEMBL4075352

SCHEMBL4075352

CC(C)C(=O)c1ccc2c(c1)CCN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.52
ESR2 Q92731 5/20 0.52
HDAC6 Q9UBN7 6/20 0.52
HDAC8 Q9BY41 1/20 0.45
ABHD6 Q9BV23 4/20 0.41
KDM4E B2RXH2 2/20 0.40
DBH P09172 1/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
PKM P14618 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 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
SCHEMBL1787035 0.85 ESR1 (0.56) ESR1ESR2HDAC6HDAC8ABHD6
SCHEMBL7423258 0.83 ESR1 (0.57) ESR1ESR2HDAC6HDAC8ABHD6
SCHEMBL4071348 0.79 ESR1 (0.50) ESR1ESR2HDAC6HDAC8ALDH1A1
SCHEMBL13676320 0.79 HDAC6 (0.46) ESR2HDAC6HDAC8KDM4EDBH
SCHEMBL19919810 0.79 KDM4E (0.55) HDAC6KDM4EDBHGAARECQL
SCHEMBL13676336 0.79 KDM4E (0.45) HDAC6HDAC8KDM4EDBHGAA
SCHEMBL1366408 0.78 ESR1 (0.52) ESR1ESR2HDAC6HDAC8KDM4E
SCHEMBL12387505 0.78 ESR1 (0.52) ESR1ESR2HDAC6HDAC8ABHD6
SCHEMBL9052486 0.78 HDAC6 (0.59) ESR1ESR2HDAC6HDAC8ABHD6
Hydrochloric Acid SCHEMBL2315162 0.77 ESR1 (0.51) ESR1ESR2HDAC6HDAC8ABHD6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725240-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-03-25 EP disclosed
US-20070185090-A1 Muscarinic acetylchoine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1725240-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-11-29 EP disclosed
WO-2005094834-A1 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-13 WO 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-20070185090-A1 Muscarinic acetylchoine receptor antagonists CHRM3, CHRNG, CHRM2 ESR1 2788/4885ESR2 1153/4885HDAC6 1473/4885

“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.