SCHEMBL15965415

SCHEMBL15965415

COc1ccc(C(O)COc2ccccc2OC)cc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.57
EPAS1 Q99814 2/20 0.57
CYP1A2 P05177 3/20 0.53
LMNA P02545 2/20 0.53
AGTR1 P30556 1/20 0.53
SLC6A4 P31645 3/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A3 Q01959 2/20 0.50
ADRB2 P07550 3/20 0.47
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
DRD1 P21728 2/20 0.47
DRD4 P21917 2/20 0.47
ADRB1 P08588 2/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL19650947 0.91 HIF1A (0.54) HIF1AEPAS1CYP1A2LMNAAGTR1
SCHEMBL15954055 0.89 HIF1A (0.69) HIF1AEPAS1CYP1A2LMNAAGTR1
SCHEMBL31425001 0.89 HIF1A (0.69) HIF1AEPAS1CYP1A2LMNAAGTR1
SCHEMBL15965412 0.85 HIF1A (0.45) HIF1AEPAS1CYP1A2LMNASLC6A4
SCHEMBL17967102 0.84 HIF1A (0.63) HIF1AEPAS1CYP1A2LMNAAGTR1
SCHEMBL17997949 0.84 HIF1A (0.63) HIF1AEPAS1CYP1A2LMNAAGTR1
SCHEMBL21103198 0.82 TSHR (0.63) HIF1AEPAS1CYP1A2LMNAAGTR1
SCHEMBL12300385 0.82 HIF1A (0.89) HIF1AEPAS1
SCHEMBL12300413 0.81 HIF1A (0.84) HIF1AEPAS1
SCHEMBL15954437 0.81 LMNA (0.62) HIF1AEPAS1CYP1A2LMNAAGTR1

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-9359391-B2 Selective C—O bond cleavage of oxidized lignin and lignin-type materials into simple aromatic compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-06-07 US disclosed
US-20150259368-A1 SELECTIVE C-O BOND CLEAVAGE OF OXIDIZED LIGNIN AND LIGNIN-TYPE MATERIALS INTO SIMPLE AROMATIC COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-09-17 US disclosed
US-8969534-B2 Selective aerobic alcohol oxidation method for conversion of lignin into simple aromatic compounds Wisconsin Alumni Research Foundataion (US) 2015-03-03 US disclosed
US-20140235838-A1 SELECTIVE AEROBIC ALCOHOL OXIDATION METHOD FOR CONVERSION OF LIGNIN INTO SIMPLE AROMATIC COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-08-21 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-20150259368-A1 SELECTIVE C-O BOND CLEAVAGE OF OXIDIZED LIGNIN AND LIGNIN-TYPE MATERIALS INTO SIMPLE AROMATIC COMPOUNDS AOC2, AOX1, AOC3 HIF1A 2943/4885EPAS1 3613/4885CYP1A2 477/4885
US-20140235838-A1 SELECTIVE AEROBIC ALCOHOL OXIDATION METHOD FOR CONVERSION OF LIGNIN INTO SIMPLE AROMATIC COMPOUNDS AOX1, SOD1, NOX4 HIF1A 1336/4885EPAS1 1982/4885CYP1A2 267/4885

“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.