SCHEMBL15469155

SCHEMBL15469155

[2H]C(C#CCCCCC)C#CCCCCCCCC(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 3/20 0.53
HMGCR P04035 2/20 0.53
DGKA P23743 1/20 0.51
PAM P19021 2/20 0.47
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.45
LMNA P02545 2/20 0.44
DNM1 Q05193 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.43
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 1/20 0.43
DUSP3 P51452 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL14450970 0.89 PTPN7 (0.56) PTPN7HMGCRDGKAPAMRECQL
SCHEMBL15472097 0.87 RECQL (0.60) PTPN7HMGCRDGKAPAMRECQL
SCHEMBL15469192 0.87 RECQL (0.60) PTPN7HMGCRDGKAPAMRECQL
SCHEMBL31264376 0.82 PTPN7 (0.64) PTPN7HMGCRDGKAPAMRECQL
SCHEMBL851539 0.81 CYP1A2 (0.53) PTPN7HMGCRDGKAPAMRECQL
SCHEMBL8375548 0.81 DGKA (0.75) DGKAPAMTDP1TSHRMAPT
SCHEMBL2309907 0.81 DGKA (0.68) DGKAPAMTDP1TSHRMAPT
SCHEMBL116995 0.81 DGKA (0.75) DGKAPAMTDP1TSHRMAPT
SCHEMBL454 0.81 DGKA (0.75) DGKAPAMTDP1TSHRMAPT
Hexane SCHEMBL2349171 0.81 DGKA (0.75) DGKAPAMTDP1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140147428-A1 NEURODEGENERATIVE DISORDERS AND MUSCLE DISEASES IMPLICATING PUFAS RETROTOPE, INC. (US) 2014-05-29 US disclosed
US-20140050712-A1 DISORDERS IMPLICATING PUFA OXIDATION RETROTOPE, INC. (US) 2014-02-20 US disclosed
US-20140044693-A1 OXIDATIVE RETINAL DISEASES RETROTOPE, INC. (US) 2014-02-13 US disclosed
US-20140044692-A1 IMPAIRED ENERGY PROCESSING DISORDERS AND MITOCHONDRIAL DEFICIENCY RETROTOPE, INC. (US) 2014-02-13 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 (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-20140044693-A1 OXIDATIVE RETINAL DISEASES ALDH1A2, TXNRD2, STARD3 PTPN7 4307/4885HMGCR 142/4885DGKA 865/4885
US-20140147428-A1 NEURODEGENERATIVE DISORDERS AND MUSCLE DISEASES IMPLICATING PUFAS CPT1B, PSEN2, NLN PTPN7 4832/4885HMGCR 981/4885DGKA 180/4885
US-20140050712-A1 DISORDERS IMPLICATING PUFA OXIDATION GPX4, CPT1A, FABP1 PTPN7 2783/4885HMGCR 213/4885DGKA 307/4885
US-20140044692-A1 IMPAIRED ENERGY PROCESSING DISORDERS AND MITOCHONDRIAL DEFICIENCY NDUFAB1, PC, HADHB PTPN7 4671/4885HMGCR 1190/4885DGKA 1143/4885

“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.