SCHEMBL2803370

SCHEMBL2803370

OC(C#CC1CC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
HTT P42858 1/20 0.44
CACNA2D1 P54289 1/20 0.42
CACNB2 Q08289 1/20 0.42
CACNA1C Q13936 1/20 0.42
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 4/20 0.34
IDO1 P14902 1/20 0.33

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
SCHEMBL2800708 0.91 ALDH1A1 (0.47) TSHRALDH1A1MAPK1HTTCACNA2D1
SCHEMBL9547891 0.78 TSHR (0.64) TSHRALDH1A1MAPK1HTTCACNA2D1
SCHEMBL9856659 0.73 CACNA2D1 (0.66) TSHRALDH1A1MAPK1HTTCACNA2D1
SCHEMBL29220110 0.73 TRPA1 (0.39) TSHRALDH1A1CYP1A2CYP2D6IDO1
SCHEMBL9619367 0.72 TSHR (0.56) TSHRALDH1A1MAPK1HTTCACNA2D1
SCHEMBL25337820 0.71
SCHEMBL9119346 0.70 TSHR (0.54) TSHRALDH1A1MAPK1HTTCACNA2D1
SCHEMBL96275 0.70 TSHR (0.54) TSHRALDH1A1MAPK1HTTCACNA2D1
SCHEMBL9996023 0.70 TSHR (0.60) TSHRALDH1A1MAPK1HTTCACNA2D1
SCHEMBL9389599 0.70 TSHR (0.60) TSHRALDH1A1MAPK1HTTCACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127215-A1 A COPPER-CATALYZED METHOD AND APPLICATION FOR PREPARING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN AS AN OXIDANT FUDAN UNIVERSITY (CN) 2022-04-28 US disclosed
EP-3919469-A1 COPPER-CATALYZED METHOD FOR PREPARING ALDEHYDE OR KETONE COMPOUND BY OXIDIZING ALCOHOL BY USING OXYGEN AS OXIDANT, AND APPLICATION THEREOF Fudan University (CN) 2021-12-08 EP disclosed
US-7763734-B2 Synthesis, structure and use of bisoxazolidines for asymmetric catalysis and synthesis GEORGETOWN UNIVERSITY (US) 2010-07-27 US disclosed
US-7763734-B2 Synthesis, structure and use of bisoxazolidines for asymmetric catalysis and synthesis GEORGETOWN UNIVERSITY (US) 2010-07-27 US disclosed
US-20070265255-A1 SYNTHESIS, STRUCTURE AND USE OF BISOXAZOLIDINES FOR ASYMMETRIC CATALYSIS AND SYNTHESIS GEORGETOWN UNIVERSITY 2007-11-15 US disclosed
US-20070265255-A1 SYNTHESIS, STRUCTURE AND USE OF BISOXAZOLIDINES FOR ASYMMETRIC CATALYSIS AND SYNTHESIS GEORGETOWN UNIVERSITY 2007-11-15 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 (2 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-20220127215-A1 A COPPER-CATALYZED METHOD AND APPLICATION FOR PREPARING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN AS AN OXIDANT SOD1, ALDH2, AOC2 TSHR 2979/4885ALDH1A1 18/4885MAPK1 3265/4885
US-20070265255-A1 SYNTHESIS, STRUCTURE AND USE OF BISOXAZOLIDINES FOR ASYMMETRIC CATALYSIS AND SYNTHESIS ADH5, ADH1C, ADH1A TSHR 2051/4885ALDH1A1 69/4885MAPK1 4348/4885

“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.