SCHEMBL14974229

SCHEMBL14974229

CCC(=Cc1cnc(-c2ccc(OCc3ccccc3)c(C34CC5CC(CC(C5)C3)C4)c2)cn1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 4/20 0.40
IKBKB O14920 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RARA P10276 3/20 0.38
RARB P10826 3/20 0.38
RARG P13631 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
HSPD1 P10809 1/20 0.38
GOT1 P17174 1/20 0.38
GLRA1 P23415 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL14974248 0.87 HDAC11 (0.43) HDAC11IKBKBLMNAALDH1A1TP53
SCHEMBL2391032 0.85 HDAC11 (0.46) HDAC11IKBKBLMNAALDH1A1TP53
SCHEMBL13505373 0.85 HDAC11 (0.52) HDAC11IKBKBLMNAALDH1A1TP53
SCHEMBL14974228 0.84 HDAC11 (0.42) HDAC11IKBKBLMNAALDH1A1TP53
SCHEMBL1914079 0.84 HDAC11 (0.42) HDAC11IKBKBLMNAALDH1A1TP53
SCHEMBL14974756 0.84 IKBKB (0.48) HDAC11IKBKBLMNAALDH1A1TP53
SCHEMBL2387856 0.83 RARA (0.49) HDAC11LMNAALDH1A1TP53GAA
SCHEMBL2391184 0.83 PSEN1 (0.42) HDAC11LMNAALDH1A1TP53GAA
SCHEMBL2391841 0.83 HDAC11 (0.42) HDAC11LMNAALDH1A1TP53GAA
SCHEMBL2393669 0.83 HDAC11 (0.42) HDAC11IKBKBLMNAALDH1A1TP53

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-9096544-B2 Therapeutic compounds WAYNE STATE UNIVERSITY (US) 2015-08-04 US disclosed
US-20130137699-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2013-05-30 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-20130137699-A1 THERAPEUTIC COMPOUNDS BAX, MCL1, TMBIM6 HDAC11 294/4885IKBKB 479/4885LMNA 818/4885

“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.