SCHEMBL23940770

SCHEMBL23940770

O=C1Cc2cccc(-c3ccccc3)c2O1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.51
ANPEP P15144 2/20 0.41
IL1RN P18510 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
MAOA P21397 2/20 0.39
PIM1 P11309 1/20 0.38
MAOB P27338 1/20 0.37
BCHE P06276 1/20 0.37
CES1 P23141 1/20 0.37
CTRC Q99895 1/20 0.37
DRD2 P14416 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL8817005 0.79 MAOA (0.55) ANPEPIL1RNERAP2ERAP1MAOA
SCHEMBL27923062 0.74 DRD2 (0.33) AKR1B1ANPEPIL1RNERAP2ERAP1
SCHEMBL5539477 0.73 AKR1B1 (0.45) AKR1B1MAOAMAOB
SCHEMBL29405055 0.72 MAOA (0.54) AKR1B1MAOAMAOBBCHECES1
SCHEMBL149855 0.72 MAOA (0.54) AKR1B1MAOAMAOBBCHECES1
SCHEMBL13495858 0.72 AKR1B1 (0.44) AKR1B1
SCHEMBL32672943 0.72 AKR1B1 (0.44) AKR1B1MAOAMAOB
SCHEMBL5539483 0.72 MEN1 (0.47) AKR1B1MAOAMAOB
SCHEMBL3520803 0.72 AKR1B1 (0.44) AKR1B1MAOAPIM1MAOB
SCHEMBL2807475 0.71 AKR1B1 (0.41) AKR1B1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US disclosed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 WO disclosed
US-20170182010-A1 BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-06-29 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-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS CYP2B6, TYR, CYP2D6 AKR1B1 1363/4885ANPEP 3146/4885IL1RN 4810/4885
US-20170182010-A1 BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS ASAH1, ASAH2, ACER2 AKR1B1 1171/4885ANPEP 517/4885IL1RN 445/4885

“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.