SCHEMBL9622282

SCHEMBL9622282

CC(=O)CC(=O)COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
ALDH1A1 P00352 4/20 0.52
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GRM5 P41594 1/20 0.44
BRD4 O60885 1/20 0.44
MAOB P27338 1/20 0.44
CSNK1D P48730 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
PTPRC P08575 1/20 0.43
PTPN1 P18031 1/20 0.43
LMNA P02545 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
SCHEMBL6702666 0.89 TSHR (0.56) NPC1ALDH1A1TSHRRAB9AMAPT
SCHEMBL6025312 0.85 ALDH1A1 (0.49) NPC1ALDH1A1TSHRRAB9AMAPT
SCHEMBL1987313 0.85 TSHR (0.52) NPC1ALDH1A1TSHRRAB9AMAPT
SCHEMBL712779 0.85 ALDH1A1 (0.59) NPC1ALDH1A1TSHRRAB9AMAPT
SCHEMBL476827 0.85 TSHR (0.61) NPC1ALDH1A1TSHRRAB9AMAPT
SCHEMBL126148 0.84 NPC1 (0.55) NPC1ALDH1A1TSHRRAB9AMAPT
SCHEMBL9152703 0.84 NPC1 (0.51) NPC1ALDH1A1TSHRRAB9AMAPT
SCHEMBL9152709 0.83 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2BRD4MAOB
SCHEMBL3986734 0.82 NPC1 (0.49) NPC1ALDH1A1TSHRRAB9AMAPT
SCHEMBL29153306 0.82 ALDH1A1 (0.52) NPC1ALDH1A1TSHRRAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748158-B1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICALS CO (JP) 2018-01-24 EP disclosed
EP-2748158-B1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICALS CO (JP) 2018-01-24 EP disclosed
US-9579407-B2 Radiolabeled compounds and their use as radiotracers for quantitative imaging of phosphodiesterase (PDE10A) in mammals TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-28 US disclosed
US-9579407-B2 Radiolabeled compounds and their use as radiotracers for quantitative imaging of phosphodiesterase (PDE10A) in mammals TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-28 US disclosed
US-9579407-B2 Radiolabeled compounds and their use as radiotracers for quantitative imaging of phosphodiesterase (PDE10A) in mammals TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-28 US disclosed
EP-2748158-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS Takeda Pharmaceutical Company Limited (JP) 2014-07-02 EP disclosed
US-20140178304-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-26 US disclosed
US-20140178304-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-26 US disclosed
US-20140178304-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-26 US disclosed
WO-2013027845-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed
WO-2013027845-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed
EP-0307358-B1 1,3-DIKETONES CONTAINING ETHERS OR THIOETHERS AND THEIR USE AS STABILISING AGENTS IN CHLORINATED POLYMERS CIBA-GEIGY AG (CH) 1992-02-12 EP disclosed
US-4992504-A Heat resistance, photostability CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
EP-0307358-A1 1,3-Diketones containing ethers or thioethers and their use as stabilising agents in chlorinated polymers CIBA-GEIGY AG (CH) 1989-03-15 EP 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 (1 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-20140178304-A1 RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS PDE5A, PDE3B, PDE3A NPC1 1929/4885ALDH1A1 328/4885TSHR 973/4885

“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.