SCHEMBL12395331

SCHEMBL12395331

COC(=O)C1C(=O)C2C=CC1C2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.36
PKM P14618 1/20 0.36
DNTT P04053 1/20 0.35
HTT P42858 1/20 0.33
TSHR P16473 2/20 0.32
ATM Q13315 1/20 0.32
KMT2A Q03164 1/20 0.32
BRD4 O60885 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL10918418 0.71 CYP1A2 (0.37) CYP1A2HIF1AALDH1A1TSHRMAPT
SCHEMBL18552682 0.68
SCHEMBL14490713 0.67 ALDH1A1 (0.38) CYP1A2ALDH1A1HTTATMKMT2A
SCHEMBL14193665 0.67 ALDH1A1 (0.38) CYP1A2ALDH1A1HTTATMKMT2A
SCHEMBL14827588 0.66 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PKMHTTKMT2A
SCHEMBL18461270 0.66 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PKMHTTKMT2A
SCHEMBL7197213 0.66 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PKMHTTKMT2A
SCHEMBL147771 0.66 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PKMHTTKMT2A
SCHEMBL5732376 0.66 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PKMHTTKMT2A
SCHEMBL30363373 0.66 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2PKMHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10676471-B2 Cycloalkyl-linked diheterocycle derivatives PFIZER INC. (US) 2020-06-09 US disclosed
EP-3556757-A1 CYCLOALKYL-LINKED DIHETEROCYCLE DERIVATIVES Pfizer Inc (US) 2019-10-23 EP disclosed
EP-3137460-B1 CYCLOALKYL-LINKED DIHETEROCYCLE DERIVATIVES PFIZER (US) 2019-10-23 EP disclosed
US-20190270737-A1 Cycloalkyl-Linked Diheterocycle Derivatives PFIZER INC. (US) 2019-09-05 US disclosed
US-20190040055-A1 Cycloalkyl-Linked Diheterocycle Derivatives PFIZER INC. (US) 2019-02-07 US disclosed
US-10125130-B2 Cycloalkyl-linked diheterocycle derivatives PFIZER INC. (US) 2018-11-13 US disclosed
US-20180148441-A1 Cycloalkyl-Linked Diheterocycle Derivatives PFIZER INC. (US) 2018-05-31 US disclosed
US-20180148441-A1 Cycloalkyl-Linked Diheterocycle Derivatives PFIZER INC. (US) 2018-05-31 US disclosed
EP-3137460-A1 CYCLOALKYL-LINKED DIHETEROCYCLE DERIVATIVES Pfizer Inc. (US) 2017-03-08 EP disclosed
US-20170050958-A1 Cycloalkyl-Linked Diheterocycle Derivatives PFIZER INC. (US) 2017-02-23 US disclosed
US-20170050958-A1 Cycloalkyl-Linked Diheterocycle Derivatives PFIZER INC. (US) 2017-02-23 US disclosed
WO-2015166373-A1 CYCLOALKYL-LINKED DIHETEROCYCLE DERIVATIVES PFIZER INC. (US) 2015-11-05 WO disclosed
WO-2015166373-A1 CYCLOALKYL-LINKED DIHETEROCYCLE DERIVATIVES PFIZER INC. (US) 2015-11-05 WO disclosed
US-8822480-B2 Bicyclic heterocycle derivatives and use thereof as GPR119 modulators MERCK SHARP & DOHME CORP. (US) 2014-09-02 US disclosed
US-8815876-B2 Bicyclic heterocycle derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-08-26 US disclosed
US-20110166165-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS SCHERING CORPORATION (US) 2011-07-07 US disclosed
US-20110166167-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2011-07-07 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 (8 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-20110166165-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR88, GCGR CYP1A2 789/4885HIF1A 601/4885ALDH1A1 1551/4885
US-20180148441-A1 Cycloalkyl-Linked Diheterocycle Derivatives CCNY, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCND2 CYP1A2 1768/4885HIF1A 3052/4885ALDH1A1 2190/4885
US-20110166167-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, GLP1R CYP1A2 697/4885HIF1A 764/4885ALDH1A1 1749/4885
US-10125130-B2 Cycloalkyl-linked diheterocycle derivatives CCNY, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCND2 CYP1A2 1768/4885HIF1A 3052/4885ALDH1A1 2190/4885
US-20190270737-A1 Cycloalkyl-Linked Diheterocycle Derivatives CCNY, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCND2 CYP1A2 1768/4885HIF1A 3052/4885ALDH1A1 2190/4885
US-10676471-B2 Cycloalkyl-linked diheterocycle derivatives CCNY, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCND2 CYP1A2 1768/4885HIF1A 3052/4885ALDH1A1 2190/4885
US-20170050958-A1 Cycloalkyl-Linked Diheterocycle Derivatives CCNY, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCND2 CYP1A2 1768/4885HIF1A 3052/4885ALDH1A1 2190/4885
US-20190040055-A1 Cycloalkyl-Linked Diheterocycle Derivatives CCNY, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCND2 CYP1A2 1768/4885HIF1A 3052/4885ALDH1A1 2190/4885

“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.