SCHEMBL7399599

SCHEMBL7399599

O=Cc1ccccc1OCCOCCOCCO

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
HPGD P15428 2/20 0.72
HTT P42858 1/20 0.72
PTGDR2 Q9Y5Y4 1/20 0.56
MAPT P10636 2/20 0.50
KMT2A Q03164 6/20 0.49
PTK2B Q14289 1/20 0.49
KDM4E B2RXH2 4/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SRC P12931 1/20 0.46
MEN1 O00255 3/20 0.44
GAA P10253 1/20 0.44
RAD52 P43351 1/20 0.44
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL29771355 1.00 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2HPGDHTTPTGDR2
SCHEMBL11685370 1.00 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2HPGDHTTPTGDR2
SCHEMBL7927335 0.91 ALDH1A1 (0.88) ALDH1A1SMN1; SMN2HPGDHTTPTGDR2
SCHEMBL7926214 0.91 ALDH1A1 (0.88) ALDH1A1SMN1; SMN2HPGDHTTPTGDR2
SCHEMBL450781 0.89 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2HPGDHTTPTGDR2
SCHEMBL31371989 0.88 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2HPGDHTTPTGDR2
SCHEMBL6914412 0.85 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HPGDHTTPTGDR2
SCHEMBL7987554 0.84 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2HPGDHTTPTGDR2
SCHEMBL3336500 0.83 LMNA (0.56) ALDH1A1SMN1; SMN2MAPTKMT2APTK2B
SCHEMBL7751521 0.83 LMNA (0.56) ALDH1A1SMN1; SMN2MAPTKMT2APTK2B

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
EP-3207031-B1 ATAXIA TELENGIECTASIA AND RAD3-RELATED (ATR) PROTEIN KINASE INHIBITORS Atrin Pharmaceuticals LLC (US) 2021-04-14 EP disclosed
US-10196405-B2 Ataxia telengiectasia and Rad3-related (ATR) protein kinase inhibitors Atrin Pharmaceuticals LLC (US) 2019-02-05 US disclosed
US-9981989-B2 Ataxia telengiectasia and Rad3-related (ATR) protein kinase inhibitors Atrin Pharmaceuticals LLC (US) 2018-05-29 US disclosed
US-9981989-B2 Ataxia telengiectasia and Rad3-related (ATR) protein kinase inhibitors Atrin Pharmaceuticals LLC (US) 2018-05-29 US disclosed
US-20170226130-A1 Ataxia Telengiectasia And Rad3-Related (ATR) Protein Kinase Inhibitors Atrin Pharmaceuticals LLC (US) 2017-08-10 US disclosed
US-20170226130-A1 Ataxia Telengiectasia And Rad3-Related (ATR) Protein Kinase Inhibitors Atrin Pharmaceuticals LLC (US) 2017-08-10 US disclosed
US-9663535-B2 Ataxia telengiectasia and Rad3-related (ATR) protein kinase inhibitors Atrin Pharmaceuticals LLC (US) 2017-05-30 US disclosed
US-9663535-B2 Ataxia telengiectasia and Rad3-related (ATR) protein kinase inhibitors Atrin Pharmaceuticals LLC (US) 2017-05-30 US disclosed
WO-2016061097-A1 ATAXIA TELENGIECTASIA AND RAD3-RELATED (ATR) PROTEIN KINASE INHIBITORS Atrin Pharmaceuticals LLC (US) 2016-04-21 WO disclosed
US-20160102104-A1 Ataxia Telengiectasia And Rad3-Related (ATR) Protein Kinase Inhibitors Atrin Pharmaceuticals LLC (US) 2016-04-14 US disclosed
US-20160102104-A1 Ataxia Telengiectasia And Rad3-Related (ATR) Protein Kinase Inhibitors Atrin Pharmaceuticals LLC (US) 2016-04-14 US disclosed
US-5686610-A Pyridyl piperazine compound PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US disclosed
US-5378718-A Cardiovascular activity, hypotensive CEDONA PHARMACEUTICALS B.V. (NL) 1995-01-03 US disclosed
EP-0541634-A1 1,4-DIHYDROPYRIDINE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1993-05-19 EP disclosed
WO-1992002503-A1 NOVEL 1,4-DIHYDROPYRIDINE DERIVATIVES CEDONA PHARMACEUTICALS BV (NL) 1992-02-20 WO 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-20170226130-A1 Ataxia Telengiectasia And Rad3-Related (ATR) Protein Kinase Inhibitors CHEK2, ATR, CHEK1 ALDH1A1 4240/4885SMN1; SMN2 999/4885HPGD 3681/4885
US-20160102104-A1 Ataxia Telengiectasia And Rad3-Related (ATR) Protein Kinase Inhibitors ATR, CHEK1, CHEK2 ALDH1A1 4356/4885SMN1; SMN2 799/4885HPGD 4129/4885
US-10196405-B2 Ataxia telengiectasia and Rad3-related (ATR) protein kinase inhibitors CHEK2, ATR, CHEK1 ALDH1A1 4211/4885SMN1; SMN2 962/4885HPGD 3675/4885

“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.