SCHEMBL20132808

SCHEMBL20132808

COC(=O)c1cccc2c1CC1(CCN(Cc3ccc(Cl)cc3)C1=O)C2

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 9/20 0.64
HDAC6 Q9UBN7 1/20 0.39
TSHR P16473 1/20 0.38
OPRL1 P41146 1/20 0.38
PTGER4 P35408 1/20 0.37
P2RX7 Q99572 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 2/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL20096998 0.92 HDAC11 (0.64) HDAC11KDM4EALDH1A1
SCHEMBL20096845 0.88 HDAC11 (0.66) HDAC11HDAC6PTGER4ALDH1A1HPGD
SCHEMBL20096840 0.87 HDAC11 (0.83) HDAC11HDAC6
SCHEMBL20096556 0.86 HDAC11 (0.57) HDAC11P2RX7
SCHEMBL20836890 0.86 HDAC11 (0.57) HDAC11P2RX7
SCHEMBL20096553 0.86 HDAC11 (0.57) HDAC11P2RX7
SCHEMBL29624696 0.86 HDAC11 (0.57) HDAC11P2RX7
SCHEMBL29754138 0.86 HDAC11 (0.57) HDAC11HDAC6
SCHEMBL29624687 0.86 HDAC11 (0.57) HDAC11P2RX7
SCHEMBL20096675 0.83 HDAC11 (0.58) HDAC11HDAC6P2RX7KDM4E

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-20180127386-A1 METHODS USING HDAC11 INHIBITORS VALO EARLY DISCOVERY, INC. 2018-05-10 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-20180127386-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885HDAC6 6/4885TSHR 3985/4885

“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.