SCHEMBL21882891

SCHEMBL21882891

COC(=O)C1(c2ccc(O)c(OC)c2)CCC(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
LMNA P02545 2/20 0.43
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX5 P09917 2/20 0.41
OR51E2 Q9H255 1/20 0.41
CYP2C9 P11712 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 2/20 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
SCHEMBL21882883 0.83 LMNA (0.57) LMNAMEN1KMT2AL3MBTL1SLC22A6
SCHEMBL21820696 0.83 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL21820659 0.78 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL21820716 0.77 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL1721306 0.76 HTT (0.51) LMNAMEN1KMT2AL3MBTL1SLC22A6
SCHEMBL12345255 0.76 LMNA (0.50) LMNAMEN1KMT2AL3MBTL1SLC22A6
SCHEMBL16137494 0.76 MEN1 (0.47) MEN1KMT2AL3MBTL1CYP2C9HTT
SCHEMBL13226485 0.76 MEN1 (0.47) MEN1KMT2AL3MBTL1CYP2C9HTT
SCHEMBL21820703 0.75 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL13887005 0.75 TSHR (0.43) LMNAMEN1KMT2ACYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961266-B2 Chemoselective methylene hydroxylation in aromatic molecules THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-03-30 US disclosed
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2020-03-19 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-10961266-B2 Chemoselective methylene hydroxylation in aromatic molecules PAH, DBH, AHR PDE4A 1495/4885PDE4B 1596/4885PDE4C 1909/4885
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES PAH, DBH, AHR PDE4A 1495/4885PDE4B 1596/4885PDE4C 1909/4885

“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.