SCHEMBL17500232

SCHEMBL17500232

CC(C)(C)OC(=O)/C=C/c1cccc(CBr)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 7/20 0.51
AKR1B10 O60218 4/20 0.44
AKR1B1 P15121 4/20 0.44
PKM P14618 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TTR P02766 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39

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
SCHEMBL17500223 1.00 NR1H4 (0.51) NR1H4AKR1B10AKR1B1PKMKDM4E
SCHEMBL18572547 0.87 NR1H4 (0.49) NR1H4AKR1B10AKR1B1PKMKDM4E
SCHEMBL7910940 0.87 NR1H4 (0.49) NR1H4AKR1B10AKR1B1PKMKDM4E
SCHEMBL7910941 0.87 NR1H4 (0.49) NR1H4AKR1B10AKR1B1PKMKDM4E
SCHEMBL27645996 0.86 NR1H4 (0.48) NR1H4AKR1B10AKR1B1PKMKDM4E
Hydrochloric Acid SCHEMBL3937287 0.85 NR1H4 (0.48) NR1H4AKR1B10AKR1B1PKMKDM4E
Hydrochloric Acid SCHEMBL3937294 0.85 NR1H4 (0.48) NR1H4AKR1B10AKR1B1PKMKDM4E
SCHEMBL4679564 0.85 NR1H4 (0.50) NR1H4AKR1B10AKR1B1PKMKDM4E
SCHEMBL4679570 0.85 NR1H4 (0.50) NR1H4AKR1B10AKR1B1PKMKDM4E
SCHEMBL10509071 0.84 TTR (0.53) NR1H4AKR1B10AKR1B1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177621-B1 NOVEL HDAC6 INHIBITORS AND THEIR USES UNIV REGENSBURG (DE) 2021-11-10 EP disclosed
US-10106540-B2 HDAC6 inhibitors and their uses UNIVERSITÄT REGENSBURG (DE) 2018-10-23 US disclosed
US-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES Universitätsklinikum Jena (DE) 2017-07-27 US disclosed
EP-3177621-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES Universität Regensburg (DE) 2017-06-14 EP disclosed
WO-2016020369-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES UNIVERSITÄT REGENSBURG (DE) 2016-02-11 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 (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-20170210743-A1 NOVEL HDAC6 INHIBITORS AND THEIR USES HDAC6, HDAC5, HDAC4 NR1H4 517/4885AKR1B10 1713/4885AKR1B1 1896/4885
US-10106540-B2 HDAC6 inhibitors and their uses HDAC6, HDAC5, HDAC4 NR1H4 506/4885AKR1B10 1649/4885AKR1B1 1781/4885

“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.