SCHEMBL20628946

SCHEMBL20628946

CCCCOC(=O)c1ccc(Cn2c3c(c4ccccc42)C(C(=O)OCC)NCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.41
▸ HDAC1 Q13547 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ F2RL3 Q96RI0 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ SCARB1 Q8WTV0 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ RNASEL Q05823 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
Hydrochloric Acid SCHEMBL20610207 0.87 HDAC6 (0.43) HDAC6HDAC1ALDH1A1HDAC2HDAC8
SCHEMBL20605349 0.87 HDAC6 (0.44) HDAC6HDAC1F2RL3HDAC2HDAC8
SCHEMBL20629473 0.82 HDAC2 (0.49) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL20635876 0.76 MEN1 (0.36) —
SCHEMBL20635514 0.75 HDAC6 (0.70) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL20628955 0.75 HDAC6 (0.47) HDAC6HDAC1HDAC2HDAC8HDAC3
Hydrochloric Acid SCHEMBL20605300 0.74 HDAC6 (0.46) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL20628948 0.74 HDAC6 (0.55) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL17520445 0.73 HDAC6 (0.70) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL12804727 0.72 HDAC6 (0.60) HDAC6HDAC1ALDH1A1F2RL3HDAC2

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-11198694-B2 HDAC6 inhibitors, with improved solubility and their uses UNIVERSITÄT REGENSBURG (DE) 2021-12-14 — — US disclosed
US-20200308174-A1 NOVEL HDAC6 INHIBITORS, WITH IMPROVED SOLUBILITY AND THEIR USES UNIVERSITÄT REGENSBURG (DE) 2020-10-01 — — US disclosed
EP-3424925-A1 NOVEL HDAC6 INHIBITORS, WITH IMPROVED SOLUBILITY AND THEIR USES Universität Regensburg (DE) 2019-01-09 — — EP 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-11198694-B2 HDAC6 inhibitors, with improved solubility and their uses HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC1 2/4885ALDH1A1 811/4885
US-20200308174-A1 NOVEL HDAC6 INHIBITORS, WITH IMPROVED SOLUBILITY AND THEIR USES HDAC6, HDAC1, HDAC2 HDAC6 1/4885HDAC1 2/4885ALDH1A1 1105/4885

“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.

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