SCHEMBL81903

SCHEMBL81903

Cc1ccc(OCC2CCCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 6/20 0.58
PARP10 Q53GL7 6/20 0.58
PARP2 Q9UGN5 1/20 0.51
KDM4E B2RXH2 1/20 0.50
FFAR1 O14842 1/20 0.49
HPGD P15428 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
GRM2 Q14416 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KDM1A O60341 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MMP13 P45452 1/20 0.47

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
SCHEMBL11164865 0.98 PARP15 (0.57) PARP15PARP10PARP2KDM4EFFAR1
SCHEMBL18374444 0.94 PARP15 (0.57) PARP15PARP10PARP2KDM4EFFAR1
SCHEMBL2665020 0.90 PARP15 (0.55) PARP15PARP10PARP2TDP1KDM1A
SCHEMBL8930160 0.90 PARP15 (0.55) PARP15PARP10PARP2TDP1KDM1A
Ammonia Solution, Strong SCHEMBL28413630 0.88 PARP15 (0.53) PARP15PARP10PARP2TDP1KDM1A
SCHEMBL14163902 0.86 SIGMAR1 (0.62)
SCHEMBL14451132 0.83 HPGD (0.52) PARP15PARP10PARP2HPGDTDP1
SCHEMBL15474258 0.83 ACACA (0.52) PARP15PARP10MAOAMAOBMMP13
SCHEMBL14508997 0.81 PARP15 (0.55) PARP15PARP10PARP2FFAR1HPGD
SCHEMBL16141973 0.81 PARP15 (0.51) PARP15PARP10PARP2TDP1KDM1A

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3819303-A1 GLYCOSIDE COMPOUND AND PREPARATION METHOD THEREFOR, COMPOSITION, APPLICATION, AND INTERMEDIATE Shanghai Hutchison Pharmaceuticals Limited (CN) 2021-05-12 EP disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
EP-3192794-A1 SUSTAINED HIV PROTEASE INHIBITOR Shionogi & Co., Ltd. (JP) 2017-07-19 EP disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 US disclosed
EP-2413191-B1 Actinic-ray- or radiation-sensitive resin composition, resist film therefrom and method of forming pattern therewith FUJIFILM CORP (JP) 2016-09-07 EP disclosed
US-20150299134-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-22 US disclosed
US-20140148432-A1 Compounds for the Treatment of Neurological Disorders BABU RUPPA POORNACHARY KAMALESH (US) 2014-05-29 US disclosed
US-8680279-B2 Compounds for the treatment of neurological disorders NEUROP, INC. (US) 2014-03-25 US disclosed
US-20140066455-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2014-03-06 US disclosed
US-8558009-B2 Pyrroles having hypolipidemic hypocholesteremic activities, process for their preparation and pharmaceutical compositions containing them and their use in medicine CADILA HEALTHCARE LIMITED (IN) 2013-10-15 US disclosed
US-7737149-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-(3,5-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2010-06-15 US disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20070238776-A1 Novel Pyrroles Having Hypolipidemic Hypocholesteremic Activities, Process for Their Preparation and Pharmaceutical Compositions Containing Them and Their Use in Medicine CADILLA HEALTHCARE LIMITED (IN) 2007-10-11 US disclosed
US-20070238776-A1 Novel Pyrroles Having Hypolipidemic Hypocholesteremic Activities, Process for Their Preparation and Pharmaceutical Compositions Containing Them and Their Use in Medicine CADILLA HEALTHCARE LIMITED (IN) 2007-10-11 US disclosed
US-7220734-B2 1-(amino)indanes and (1,2-dihydro-3-amino)-benzofurans, benzothiophenes and indoles as Edg receptor agonists MERCK & CO., INC. (US) 2007-05-22 US disclosed
US-7060721-B1 Imidazole compounds and medicinal use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-06-13 US disclosed
EP-0056492-B1 DYES FOR LIQUID CRYSTAL MIXTURES BASF Aktiengesellschaft (DE) 1984-12-12 EP disclosed
US-4113782-A CATALYTIC OXIDATION AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1978-09-12 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 (7 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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 PARP15 539/4885PARP10 768/4885PARP2 1082/4885
US-20070238776-A1 Novel Pyrroles Having Hypolipidemic Hypocholesteremic Activities, Process for Their Preparation and Pharmaceutical Compositions Containing Them and Their Use in Medicine LIPC, CETP, PNLIP PARP15 3894/4885PARP10 4596/4885PARP2 4779/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 PARP15 2402/4885PARP10 1731/4885PARP2 3096/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PARP15 1563/4885PARP10 1350/4885PARP2 1385/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 PARP15 2402/4885PARP10 1731/4885PARP2 3096/4885
US-20140148432-A1 Compounds for the Treatment of Neurological Disorders NR2C2, GRIN2C, CNR1 PARP15 3447/4885PARP10 2480/4885PARP2 3658/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 PARP15 2402/4885PARP10 1731/4885PARP2 3096/4885

“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.