SCHEMBL15768582

SCHEMBL15768582

CCC1(C(=O)O)C(c2ccccc2)C1c1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.42
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
HTT P42858 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A4 P31645 1/20 0.35
EDNRA P25101 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
FABP5 Q01469 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC9A1 P19634 1/20 0.33
BACE1 P56817 1/20 0.33
HCRTR2 O43614 1/20 0.33
ABCB1 P08183 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
SCHEMBL12498918 1.00 HDAC4 (0.42) HDAC4KDM1ARCOR1HTTCYP1A2
SCHEMBL15768826 0.85 HDAC4 (0.44) HDAC4HTTCYP1A2CYP3A4CYP2D6
SCHEMBL12499379 0.85 HDAC4 (0.44) HDAC4HTTCYP1A2CYP3A4CYP2D6
SCHEMBL15768725 0.84 HDAC4 (0.43) HDAC4KDM1ARCOR1HTTCYP1A2
SCHEMBL12498953 0.84 SLC6A4 (0.36) HDAC4KDM1AHTTCYP1A2CYP3A4
SCHEMBL12498067 0.84 HDAC4 (0.43) HDAC4KDM1ARCOR1HTTCYP1A2
SCHEMBL12499773 0.84 HDAC4 (0.43) HDAC4KDM1ARCOR1HTTCYP1A2
SCHEMBL15768762 0.84 SLC6A4 (0.36) HDAC4KDM1AHTTCYP1A2CYP3A4
SCHEMBL15768692 0.79 ALDH1A1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12498139 0.79 ALDH1A1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 10/4885KDM1A 36/4885RCOR1 727/4885

“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.