SCHEMBL15768652

SCHEMBL15768652

CCC1(C(=O)O)C(c2ccc(F)cc2)C1c1ccnc(C2CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.56
HDAC3 O15379 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
SLC22A12 Q96S37 3/20 0.36
PROKR1 Q8TCW9 2/20 0.36
NR3C2 P08235 1/20 0.35
CHRNA7 P36544 1/20 0.34
KDM5A P29375 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM5B Q9UGL1 2/20 0.33
GRM2 Q14416 1/20 0.33
IDO1 P14902 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 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
SCHEMBL12498904 1.00 HDAC4 (0.56) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL15768956 0.90 HDAC4 (0.55) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL12498650 0.90 HDAC4 (0.55) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL12499707 0.89 HDAC4 (0.60) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL15768732 0.89 HDAC4 (0.60) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL12497847 0.85 HDAC4 (0.56) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL15768522 0.85 HDAC4 (0.56) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL15768946 0.84 HDAC4 (0.47) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL12499049 0.84 HDAC4 (0.47) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL15768649 0.73 HDAC4 (0.65) HDAC4HDAC3HDAC7HDAC8HDAC6

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-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885HDAC3 5/4885HDAC7 2/4885

“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.