SCHEMBL18085908

SCHEMBL18085908

CC(C)c1ccc(CN(C)CC23CC4CC(CC(C4)C2)C3)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.60
▸ HDAC5 Q9UQL6 6/20 0.60
▸ HDAC4 P56524 5/20 0.60
▸ HDAC8 Q9BY41 5/20 0.60
▸ HDAC7 Q8WUI4 3/20 0.60
▸ HDAC11 Q96DB2 2/20 0.60
▸ HDAC9 Q9UKV0 2/20 0.60
▸ HDAC3 O15379 4/20 0.55
▸ HDAC1 Q13547 4/20 0.55
▸ HDAC2 Q92769 3/20 0.55
▸ HDAC10 Q969S8 2/20 0.55
▸ P2RX7 Q99572 3/20 0.47
▸ CXCR3 P49682 1/20 0.34
▸ EPHX2 P34913 2/20 0.33
▸ PYCR1 P32322 1/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32

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
SCHEMBL18088439 0.83 HDAC6 (0.67) HDAC6HDAC5HDAC4HDAC8HDAC7
SCHEMBL22951495 0.79 HDAC6 (0.59) HDAC6HDAC5HDAC4HDAC8HDAC7
SCHEMBL18085887 0.79 P2RX7 (0.74) HDAC6HDAC5HDAC4HDAC8HDAC7
SCHEMBL18085888 0.76 HDAC6 (0.59) HDAC6HDAC5HDAC4HDAC8HDAC7
SCHEMBL30986824 0.75 HDAC6 (1.00) HDAC6HDAC5HDAC4HDAC8HDAC7
SCHEMBL20535390 0.75 HDAC6 (1.00) HDAC6HDAC5HDAC4HDAC8HDAC7
SCHEMBL20534940 0.75 HDAC6 (0.77) HDAC6HDAC5HDAC4HDAC8HDAC7
SCHEMBL22332710 0.73 HDAC4 (0.36) HDAC6HDAC5HDAC4HDAC8HDAC7
SCHEMBL14924104 0.73 CYP1A2 (0.41) PYCR1SLC6A2SLC6A4SLC6A3
SCHEMBL22919762 0.72 HDAC4 (0.35) HDAC6HDAC5HDAC4HDAC8HDAC7

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-10188756-B2 Imaging histone deacetylases with a radiotracer using positron emission tomography THE GENERAL HOSPITAL CORPORATION (US) 2019-01-29 — — US disclosed
US-20160271276-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY THE GENERAL HOSPITAL CORPORATION 2016-09-22 — — 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-10188756-B2 Imaging histone deacetylases with a radiotracer using positron emission tomography HDAC1, HDAC11, HDAC3 HDAC6 13/4885HDAC5 9/4885HDAC4 8/4885
US-20160271276-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY HDAC1, HDAC11, HDAC3 HDAC6 13/4885HDAC5 9/4885HDAC4 8/4885

“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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