SCHEMBL5522050

SCHEMBL5522050

CCCCCCC(CCC)C(=O)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 2/20 0.43
PKM P14618 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.41
CA2 P00918 1/20 0.41
MLYCD O95822 2/20 0.39

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
SCHEMBL21755157 0.97 HTT (0.48) HTTMEN1KMT2ALMNAPOLB
SCHEMBL21259228 0.97 HTT (0.48) HTTMEN1KMT2ALMNAPOLB
SCHEMBL20746932 0.97 HTT (0.48) HTTMEN1KMT2ALMNAPOLB
SCHEMBL19334136 0.97 HTT (0.48) HTTMEN1KMT2ALMNAPOLB
SCHEMBL19522401 0.97 HTT (0.48) HTTMEN1KMT2ALMNAPOLB
SCHEMBL18816226 0.95 HTT (0.47) HTTMEN1KMT2ALMNAPOLB
SCHEMBL21538501 0.94 HTT (0.47) HTTMEN1KMT2ALMNAPOLB
SCHEMBL23879489 0.91 ALDH1A1 (0.49) HTTMEN1KMT2ALMNAPOLB
SCHEMBL10290163 0.91 ALDH1A1 (0.49) HTTMEN1KMT2ALMNAPOLB
SCHEMBL19522460 0.85 L3MBTL1 (0.44) MEN1KMT2AALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030096802-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-05-22 US claimed
CN-1322524-A Use of pentanoate derivant ONO PHARMACEUTICAL CO (JP) 2001-11-21 CN claimed
EP-0632008-B1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 1998-02-04 EP claimed
CN-1100408-A Pentanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 1995-03-22 CN claimed
EP-0632008-A1 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1995-01-04 EP claimed
US-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-07-24 US disclosed
US-8569058-B2 Nerve regeneration promoters ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
US-7569608-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-7569608-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-7569609-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-7569609-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2009-08-04 US disclosed
US-20070043114-A1 Nerve regeneration promoters ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
US-7176240-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
US-7176240-B2 Pentanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
EP-1685832-A1 NERVE REGENERATION PROMOTERS ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-02 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-20070043114-A1 Nerve regeneration promoters BDNF, NGF, GAP43 HTT 1098/4885MEN1 3868/4885KMT2A 3212/4885
US-20030096802-A1 Pentanoic acid derivatives FFAR3, FPR1, FPR3 HTT 153/4885MEN1 3222/4885KMT2A 3904/4885
US-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP HTT 471/4885MEN1 685/4885KMT2A 3454/4885

“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.