SCHEMBL15469192

SCHEMBL15469192

CCCCCC#C[13CH2]C#CCCCCCCCC(=O)OCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
PTPN7 P35236 4/20 0.57
MAPT P10636 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
USP2 O75604 1/20 0.57
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.57
ALOX12 P18054 1/20 0.57
BLM P54132 1/20 0.57
MCL1 Q07820 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HMGCR P04035 2/20 0.56
DGKA P23743 1/20 0.55
PAM P19021 2/20 0.50
TSHR P16473 1/20 0.47
DNM1 Q05193 1/20 0.46

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
SCHEMBL15472097 1.00 RECQL (0.60) RECQLTDP1PTPN7MAPTALDH1A1
SCHEMBL31264376 0.95 PTPN7 (0.64) RECQLTDP1PTPN7MAPTALDH1A1
SCHEMBL14450970 0.91 PTPN7 (0.56) RECQLTDP1PTPN7MAPTALDH1A1
SCHEMBL15469155 0.87 PTPN7 (0.53) RECQLTDP1PTPN7MAPTALDH1A1
SCHEMBL851539 0.84 CYP1A2 (0.53) RECQLTDP1PTPN7MAPTALDH1A1
SCHEMBL116995 0.84 DGKA (0.75) TDP1MAPTALDH1A1KDM4EMEN1
SCHEMBL454 0.84 DGKA (0.75) TDP1MAPTALDH1A1KDM4EMEN1
SCHEMBL2309907 0.84 DGKA (0.68) TDP1MAPTALDH1A1KDM4EMEN1
Hexane SCHEMBL2349171 0.84 DGKA (0.75) TDP1MAPTALDH1A1KDM4EMEN1
SCHEMBL8375548 0.84 DGKA (0.75) TDP1MAPTALDH1A1KDM4EMEN1

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 RECQL 2845/4885TDP1 2225/4885PTPN7 4307/4885
US-20140147428-A1 NEURODEGENERATIVE DISORDERS AND MUSCLE DISEASES IMPLICATING PUFAS CPT1B, PSEN2, NLN RECQL 3923/4885TDP1 634/4885PTPN7 4832/4885
US-20140050712-A1 DISORDERS IMPLICATING PUFA OXIDATION GPX4, CPT1A, FABP1 RECQL 3228/4885TDP1 3724/4885PTPN7 2783/4885
US-20140044692-A1 IMPAIRED ENERGY PROCESSING DISORDERS AND MITOCHONDRIAL DEFICIENCY NDUFAB1, PC, HADHB RECQL 978/4885TDP1 1546/4885PTPN7 4671/4885

“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.