SCHEMBL2803296

SCHEMBL2803296

OC(C#Cc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
ADRA2A P08913 4/20 0.43
ADRA2B P18089 4/20 0.43
ADRA2C P18825 4/20 0.43
ADRA1A P35348 4/20 0.43
ADRA1D P25100 3/20 0.43
ADRA1B P35368 3/20 0.43
TSHR P16473 1/20 0.40
ACP3 P15309 3/20 0.39
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
IDO1 P14902 1/20 0.37
APP P05067 1/20 0.37
SLC6A4 P31645 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL23392172 0.81 CYP1A2 (0.38) ALDH1A1CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL22300264 0.77 GABRA1 (0.42) ALDH1A1CYP2C9CYP2C19TSHRHPGD
SCHEMBL9578277 0.76 ALDH1A1 (0.38) ALDH1A1CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL23392219 0.76 MEN1 (0.39) ALDH1A1CYP2C19CYP1A2KMT2AHPGD
SCHEMBL2686082 0.75 IDO1 (0.44) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL2685247 0.75 APP (0.39) ALDH1A1CYP2C9CYP2C19CYP1A2ACP3
SCHEMBL17765434 0.75 ALDH1A1 (0.46) ALDH1A1CYP2C9CYP2C19CYP1A2KMT2A
SCHEMBL9667703 0.75 APP (0.39) ALDH1A1CYP2C9CYP2C19CYP1A2KMT2A
SCHEMBL9670146 0.75 CES2 (0.40) ALDH1A1GAAHPGDIDO1APP
SCHEMBL6405532 0.74 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19CYP1A2ADRA2A

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 7 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
WO-2020156238-A1 COPPER-CATALYZED METHOD FOR PREPARING ALDEHYDE OR KETONE COMPOUND BY OXIDIZING ALCOHOL BY USING OXYGEN AS OXIDANT, AND APPLICATION THEREOF 复旦大学 2020-08-06 WO 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 ALDH1A1 18/4885CYP2C9 168/4885CYP2C19 212/4885
US-20070265255-A1 SYNTHESIS, STRUCTURE AND USE OF BISOXAZOLIDINES FOR ASYMMETRIC CATALYSIS AND SYNTHESIS ADH5, ADH1C, ADH1A ALDH1A1 69/4885CYP2C9 96/4885CYP2C19 239/4885

“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.