SCHEMBL21241377

SCHEMBL21241377

CCC1CC(C)CCC(C)(CN(C)Cc2ccc(/C=C/C(=O)NO)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 12/20 0.59
▸ HDAC3 O15379 10/20 0.59
▸ HDAC1 Q13547 10/20 0.59
▸ HDAC5 Q9UQL6 6/20 0.59
▸ HDAC8 Q9BY41 6/20 0.59
▸ HDAC2 Q92769 6/20 0.59
▸ HDAC4 P56524 5/20 0.59
▸ HDAC10 Q969S8 3/20 0.59
▸ KDM1A O60341 3/20 0.39
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ MEF2D Q14814 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 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
SCHEMBL19682899 0.93 HDAC6 (0.61) HDAC6HDAC3HDAC1HDAC5HDAC8
SCHEMBL22951073 0.83 HDAC6 (0.72) HDAC6HDAC3HDAC1HDAC5HDAC8
SCHEMBL21501462 0.75 HDAC6 (0.88) HDAC6HDAC3HDAC1HDAC5HDAC8
SCHEMBL19666090 0.75 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC5HDAC8
SCHEMBL16653782 0.75 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC5HDAC8
SCHEMBL19678427 0.75 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC5HDAC8
SCHEMBL16653780 0.75 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC5HDAC8
SCHEMBL19666006 0.75 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC5HDAC8
SCHEMBL18085897 0.74 HDAC6 (0.94) HDAC6HDAC3HDAC1HDAC5HDAC8
SCHEMBL22692457 0.74 HDAC6 (0.74) HDAC6HDAC3HDAC1HDAC5HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10842891-B2 Imaging histone deacetylases with a radiotracer using positron emission tomography THE GENERAL HOSPITAL CORPORATION (US) 2020-11-24 — — US disclosed
US-20190240357-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY THE GENERAL HOSPITAL CORPORATION 2019-08-08 — — 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-20190240357-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY HDAC1, HDAC11, HDAC3 HDAC6 13/4885HDAC3 3/4885HDAC1 1/4885
US-10842891-B2 Imaging histone deacetylases with a radiotracer using positron emission tomography HDAC1, HDAC11, HDAC3 HDAC6 13/4885HDAC3 3/4885HDAC1 1/4885

“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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