SCHEMBL18088397

SCHEMBL18088397

Cc1ccc(CNCC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.61
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
LMNA P02545 1/20 0.52
P2RX7 Q99572 5/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
EPHX2 P34913 1/20 0.45
CHRM2 P08172 1/20 0.43
CNR1 P21554 1/20 0.42

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
SCHEMBL10067533 0.83 P2RX7 (0.67) HDAC6HDAC3HDAC1HDAC2P2RX7
SCHEMBL18085885 0.83 HDAC6 (0.57) HDAC6HDAC3HDAC1HDAC2P2RX7
SCHEMBL18460736 0.78 HDAC6 (0.62) HDAC6HDAC3HDAC1HDAC2P2RX7
SCHEMBL18423583 0.78 HDAC6 (0.70) HDAC6HDAC3HDAC1HDAC2LMNA
SCHEMBL9080180 0.77 HDAC6 (0.54) HDAC6HDAC3HDAC1HDAC2P2RX7
SCHEMBL18088438 0.76 HDAC6 (0.66) HDAC6HDAC3HDAC1HDAC2P2RX7
SCHEMBL20535185 0.76 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2P2RX7
SCHEMBL15013342 0.76 CNR2 (0.65) HDAC6HDAC3HDAC1LMNAMEN1
SCHEMBL18088409 0.74 HDAC6 (0.48) HDAC6HDAC3HDAC1HDAC2LMNA
SCHEMBL20535852 0.74 HDAC6 (0.54) HDAC6HDAC3HDAC1HDAC2P2RX7

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-20210030899-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY THE GENERAL HOSPITAL CORPORATION 2021-02-04 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-20210030899-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY HDAC1, HDAC11, HDAC3 HDAC6 13/4885HDAC3 3/4885HDAC1 1/4885
US-20160271276-A1 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.