SCHEMBL5987928

SCHEMBL5987928

CC(=O)Nc1ccc(C(C)(C)C(=O)O)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TDP1 Q9NUW8 2/20 0.46
HSD17B10 Q99714 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
TNNI3 P19429 1/20 0.42
TNNT2 P45379 1/20 0.42
TNNC1 P63316 1/20 0.42
RUNX1 Q01196 1/20 0.42
CBFB Q13951 1/20 0.42

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
SCHEMBL10227598 0.85 ALDH1A1 (0.58) ALDH1A1TDP1HSD17B10SMN1; SMN2GAA
SCHEMBL5987736 0.84 ALDH1A1 (0.51) ALDH1A1TDP1HSD17B10SMN1; SMN2GAA
SCHEMBL23974251 0.80 MAP2K1 (0.54) ALDH1A1TDP1HSD17B10SMN1; SMN2HTT
SCHEMBL29990241 0.75 POLB (0.68) ALDH1A1TDP1HSD17B10SMN1; SMN2GAA
SCHEMBL2336203 0.75 POLB (0.68) ALDH1A1TDP1HSD17B10SMN1; SMN2GAA
SCHEMBL20865385 0.75 ALDH1A1 (0.61) ALDH1A1TDP1HSD17B10SMN1; SMN2GAA
SCHEMBL10683046 0.74 SMN1; SMN2 (0.56) ALDH1A1TDP1HSD17B10SMN1; SMN2GAA
SCHEMBL377804 0.73 MYC (0.58) ALDH1A1TDP1HSD17B10SMN1; SMN2HTT
SCHEMBL1899406 0.72 ALDH1A1 (0.59) ALDH1A1TDP1HSD17B10SMN1; SMN2HTT
SCHEMBL7547627 0.72 ALDH1A1 (0.59) ALDH1A1TDP1HSD17B10SMN1; SMN2HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167014-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2006-07-27 US disclosed
EP-1029851-B1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2005-04-20 EP disclosed
US-20030055064-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-03-20 US disclosed
US-20030018034-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-01-23 US disclosed
US-6455528-B1 TUMOR NECROSIS FACTOR ANTAGONIST AND/OR INTERLEUKIN PROMOTER; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE TREATMENT MITSUBISHI PHARMA CORPORATION (JP) 2002-09-24 US disclosed
EP-1029851-A1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-08-23 EP 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 (3 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-20030055064-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 ALDH1A1 710/4885TDP1 4308/4885HSD17B10 438/4885
US-20030018034-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 ALDH1A1 788/4885TDP1 4382/4885HSD17B10 465/4885
US-20060167014-A1 Piperazine compounds and medicinal use thereof TNF, CCR10, RELA ALDH1A1 1148/4885TDP1 4405/4885HSD17B10 620/4885

“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.