SCHEMBL997391

SCHEMBL997391

CC(=O)OCC[C@H](C)CCCC(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.58
ALOX15 P16050 2/20 0.58
BLM P54132 1/20 0.52
LMNA P02545 1/20 0.50
ALDH1A1 P00352 2/20 0.43
EGFR P00533 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
CHRNB2 P17787 1/20 0.38
TBXA2R P21731 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 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
SCHEMBL215965 1.00 PTPN1 (0.58) PTPN1ALOX15BLMLMNAALDH1A1
SCHEMBL997389 1.00 PTPN1 (0.58) PTPN1ALOX15BLMLMNAALDH1A1
SCHEMBL872939 1.00 PTPN1 (0.58) PTPN1ALOX15BLMLMNAALDH1A1
SCHEMBL3505233 1.00 PTPN1 (0.58) PTPN1ALOX15BLMLMNAALDH1A1
SCHEMBL14094312 0.92 PTPN1 (0.58) PTPN1ALOX15BLMLMNAALDH1A1
SCHEMBL16048661 0.92 PTPN1 (0.58) PTPN1ALOX15BLMLMNAALDH1A1
SCHEMBL31412851 0.89 PTPN1 (0.55) PTPN1ALOX15BLMLMNAALDH1A1
SCHEMBL16166818 0.89 PTPN1 (0.55) PTPN1ALOX15BLMLMNAALDH1A1
SCHEMBL25341538 0.88 ALOX15 (0.61) PTPN1ALOX15BLMLMNAALDH1A1
SCHEMBL7552905 0.87 ALOX15 (0.70) PTPN1ALOX15LMNAALDH1A1CHRM5

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
CN-119403908-A Method for enhancing psychological performance and composition for use in the method 弗门尼舍有限公司 2025-02-07 CN claimed
WO-2018145219-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING SERANI MOSTAZAL JORGE (CL) 2018-08-16 WO claimed
CN-119403908-A Method for enhancing psychological performance and composition for use in the method 弗门尼舍有限公司 2025-02-07 CN disclosed
US-20110015397-A1 Selective Aliphatic C-H Oxidation THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-01-20 US disclosed
US-7829342-B2 composition including a complex of a metal, a tetradentate ligand, at least one ancillary ligand, and a counterion is used for selective sp3 C H bond oxidation; includes a N-heterocyclic-N,N'-bis(pyridyl)-ethane-1,2-diamine group or a N,N'-bis(heterocyclic)-N,N'-bis(pyridyl)-ethane-1,2-diamine group THE BOARD OF TRUSTEES OF THE UNIVERSIY OF ILLINOIS (US) 2010-11-09 US disclosed
US-20090221083-A1 Selective Aliphatic C-H Oxidation BOARD OF TRUSTEES OF UNIVERSITY OF ILLINOIS (US) 2009-09-03 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 (2 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-20110015397-A1 Selective Aliphatic C-H Oxidation AOC3, SOD3, AP3S1 PTPN1 1257/4885ALOX15 2139/4885BLM 3998/4885
US-20090221083-A1 Selective Aliphatic C-H Oxidation AOC3, SOD3, AP3S1 PTPN1 1257/4885ALOX15 2139/4885BLM 3998/4885

“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.