SCHEMBL8053447

SCHEMBL8053447

CCCC(CCC)(C(C)=O)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PKM P14618 2/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALOX15 P16050 1/20 0.36

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
SCHEMBL28283401 0.92 MEN1 (0.47) MEN1KMT2APKMTHRBL3MBTL1
SCHEMBL2353115 0.89 MEN1 (0.61) MEN1KMT2APKMTHRBL3MBTL1
SCHEMBL4163475 0.87 MEN1 (0.43) MEN1KMT2APKMTHRBL3MBTL1
SCHEMBL7512444 0.84 MEN1 (0.52) MEN1KMT2APKMTHRBL3MBTL1
SCHEMBL12090949 0.84 MEN1 (0.58) MEN1KMT2APKMTHRBL3MBTL1
SCHEMBL16450969 0.84 MEN1 (0.57) MEN1KMT2APKMTHRBL3MBTL1
SCHEMBL29271676 0.83 MEN1 (0.47) MEN1KMT2APKMTHRBL3MBTL1
SCHEMBL14600833 0.83 MEN1 (0.47) MEN1KMT2APKMTHRBL3MBTL1
SCHEMBL11032395 0.83 HCAR2 (0.38) MEN1KMT2APKMTHRBL3MBTL1
SCHEMBL11174634 0.83 MEN1 (0.50) MEN1KMT2APKMTHRBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208014-B2 Compositions and methods for the treatment of neurological disorders CELLIX BIO PRIVATE LIMITED (IN) 2019-02-19 US disclosed
US-20160122282-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS KANDULA MAHESH (IN) 2016-05-05 US disclosed
EP-2882427-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Cellixbio Private Limited (IN) 2015-06-17 EP disclosed
WO-2013167989-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS KANDULA MAHESH (IN) 2013-11-14 WO disclosed
US-8450371-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA, N.V. (BE) 2013-05-28 US disclosed
US-20120322875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2012-12-20 US disclosed
US-8258177-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA, N.V. (BE) 2012-09-04 US disclosed
US-20110294875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2011-12-01 US disclosed
EP-0835859-B1 Process for producing valproic acid SIGMA TAU IND FARMACEUTI (IT) 2000-05-03 EP disclosed
US-5856569-A Process for producing valproic acid SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1999-01-05 US disclosed
EP-0835859-A1 Process for producing valproic acid Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1998-04-15 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 (4 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-20120322875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD MEN1 4870/4885KMT2A 1583/4885PKM 1190/4885
US-20110294875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD MEN1 4870/4885KMT2A 1583/4885PKM 1190/4885
US-10208014-B2 Compositions and methods for the treatment of neurological disorders APC, PSEN1, APP MEN1 213/4885KMT2A 3581/4885PKM 2606/4885
US-20160122282-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS APC, PSEN1, BRCA1 MEN1 191/4885KMT2A 4457/4885PKM 2512/4885

“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.