SCHEMBL21137664

SCHEMBL21137664

CCCCC(C)(CC)NC(=O)c1ccc(C(C)(CC)CCCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.43
HDAC3 O15379 5/20 0.43
HDAC2 Q92769 5/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLK1 P53350 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MLYCD O95822 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL22266817 0.87 HDAC1 (0.44) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL25757213 0.75 HDAC3 (0.51) HDAC3HDAC8HDAC6MEN1MAPT
SCHEMBL11985612 0.75 EPHX2 (0.46) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL25754068 0.75 EPHX2 (0.46) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL22832225 0.74 POLB (0.50) HDAC1HDAC3HDAC2HDAC8SMN1; SMN2
SCHEMBL22832224 0.74 POLB (0.50) HDAC1HDAC3HDAC2HDAC8SMN1; SMN2
SCHEMBL19271911 0.74 NAAA (0.56) HDAC1HDAC3HDAC2
SCHEMBL19951590 0.74 NAAA (0.53) HDAC1HDAC3HDAC2HDAC8SMN1; SMN2
SCHEMBL25754051 0.73 CA2 (0.59) MEN1KMT2ALMNAHTT
SCHEMBL11985608 0.72 HDAC3 (0.48) HDAC1HDAC3HDAC2ALDH1A1KMT2A

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-10329266-B2 Protease inhibitors MEDIVIR AB (SE) 2019-06-25 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-10329266-B2 Protease inhibitors CTSK, CTSF, CTSS HDAC1 122/4885HDAC3 107/4885HDAC2 376/4885

“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.