SCHEMBL23925955

SCHEMBL23925955

Cc1cc(O)c(=O)oc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
TYR P14679 1/20 0.44
DAO P14920 1/20 0.44
AKR1B1 P15121 1/20 0.44
CYP3A4 P08684 5/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 4/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADORA3 P0DMS8 4/20 0.44
ADORA2A P29274 4/20 0.44
ADORA1 P30542 3/20 0.44
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ABCB1 P08183 4/20 0.42
CA12 O43570 3/20 0.42
CYP1B1 Q16678 2/20 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
SCHEMBL23940764 0.79 HPGD (0.42) HPGDTYRDAOAKR1B1CYP3A4
SCHEMBL28397949 0.77 ESR2 (0.42) HPGDCYP3A4MAPTKDM4ECYP2C9
SCHEMBL2460103 0.72 PTGS2 (0.45) HPGDCYP3A4MAPTKDM4ECYP2C9
SCHEMBL10205941 0.71 MAOB (0.52) HPGDCYP3A4MAPTKDM4EALDH1A1
SCHEMBL17616698 0.69 CTRC (0.46) HPGDCYP3A4MAPTKDM4ECYP2C9
SCHEMBL23925906 0.69 CYP3A4 (0.46) HPGDCYP3A4MAPTKDM4ECYP2C9
SCHEMBL10903070 0.68 PTGS2 (0.52) HPGDCYP3A4MAPTKDM4ECYP2C9
SCHEMBL25144975 0.67 CYP3A4 (0.43) HPGDCYP3A4MAPTKDM4ECYP2C9
SCHEMBL23925819 0.67 KDM4E (0.40) HPGDCYP3A4MAPTKDM4ECYP2C9
SCHEMBL18311386 0.67 BACE1 (0.56) HPGDAKR1B1CYP3A4MAPTKDM4E

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 4 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
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
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 WO 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-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS CYP2B6, TYR, CYP2D6 HPGD 683/4885TYR 2/4885DAO 175/4885

“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.