SCHEMBL7445883

SCHEMBL7445883

CC1OC1COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
TAAR1 Q96RJ0 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR1A P08908 1/20 0.41
HRH4 Q9H3N8 4/20 0.40
HRH3 Q9Y5N1 4/20 0.40
PDE4D Q08499 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL16158862 0.88 TSHR (0.44) TSHRTAAR1LMNAHTTSLC6A2
SCHEMBL16158879 0.88 TSHR (0.44) TSHRTAAR1LMNAHTTSLC6A2
SCHEMBL18499302 0.88 TSHR (0.44) TSHRTAAR1LMNAHTTSLC6A2
SCHEMBL16625047 0.88 TSHR (0.44) TSHRTAAR1LMNAHTTSLC6A2
SCHEMBL24572017 0.88 TSHR (0.61) TSHRTAAR1LMNASLC6A2HTR1A
SCHEMBL13941992 0.88 TSHR (0.61) TSHRTAAR1LMNASLC6A2HTR1A
SCHEMBL2386075 0.88 TSHR (0.61) TSHRTAAR1LMNASLC6A2HTR1A
SCHEMBL24215035 0.88 TSHR (0.61) TSHRTAAR1LMNASLC6A2HTR1A
SCHEMBL9679098 0.88 TSHR (0.61) TSHRTAAR1LMNASLC6A2HTR1A
SCHEMBL22992639 0.85 TSHR (0.41) TSHRTAAR1LMNAHTTSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130339-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-06 US disclosed
WO-2018137573-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-02 WO disclosed
CN-108290879-A Heteroaryl compound and application thereof as IRAK inhibitor 默克专利有限公司 2018-07-17 CN disclosed
US-5621133-A PREPARING A 1-(3,4-DIALKOXYPHENYL),3-HYDROXYALKANE(C6-C12) BY EPOXIDIZING A HALO DERIVATIVE WITH A BASE FOLLOWED BY DECYCLICIZING WITH AN ORGANOMETALLIC COMPOUND IN A SOLVENT; NAPHTHYLENES, ISOCHROMENES AND ISOTHIOCHROMENES DENINNO MICHAEL P (US) 1997-04-15 US disclosed
US-5591884-A PROTECTED HYDROXYALKYLCATECHOL INTERMEDIATES ABBOTT LABORATORIES (US) 1997-01-07 US disclosed
WO-1996038435-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1996-12-05 WO disclosed
EP-0474767-B1 DOPAMINE AGONISTS ABBOTT LAB (US) 1996-02-21 EP disclosed
EP-0474767-A4 DOPAMINE AGONISTS 1992-07-08 EP disclosed
EP-0474767-A1 DOPAMINE AGONISTS. ABBOTT LAB (US) 1992-03-18 EP disclosed
WO-1990015056-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1990-12-13 WO disclosed
EP-0302599-A2 Bicyclo-octane and bicyclo-nonane derivatives, processes for their preparation and their use as herbicides HER MAJESTY THE QUEEN IN RIGHT OF NEW ZEALAND, DEPARTMENT OF SCIENTIFIC AND INDUSTRIAL RESEARCH, CHEMISTRY DIVISON (NZ) 1989-02-08 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-20210130339-A1 COMPOUNDS LRRK2, PARK7, PINK1 TSHR 4833/4885TAAR1 4550/4885LMNA 691/4885

“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.