SCHEMBL18088409

SCHEMBL18088409

CC1=Cc2ccc(CNCC34CC5CC(CC(C5)C3)C4)cc2CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.48
HDAC3 O15379 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 2/20 0.42
P2RX7 Q99572 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL18085901 0.85 HDAC6 (0.46) HDAC6HDAC3HDAC1HDAC8HDAC5
SCHEMBL18085939 0.80 HDAC6 (0.68) HDAC6HDAC3HDAC1HDAC8HDAC5
SCHEMBL18088412 0.78 HDAC6 (0.67) HDAC6HDAC3HDAC1HDAC8HDAC5
SCHEMBL21241566 0.76 CXCR3 (0.38) HDAC6HDAC3HDAC1HDAC8HDAC5
SCHEMBL18088397 0.74 HDAC6 (0.61) HDAC6HDAC3HDAC1HDAC2P2RX7
SCHEMBL18085885 0.68 HDAC6 (0.57) HDAC6HDAC3HDAC1HDAC2P2RX7
SCHEMBL10067533 0.68 P2RX7 (0.67) HDAC6HDAC3HDAC1HDAC2P2RX7
SCHEMBL20535185 0.65 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC8HDAC4
SCHEMBL23181341 0.65 SMN1; SMN2 (0.49) MEN1KMT2A
SCHEMBL20535380 0.64 HDAC6 (0.73) HDAC6HDAC3HDAC1HDAC8HDAC5

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-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 (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-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.