SCHEMBL15965403

SCHEMBL15965403

CCC(=O)c1ccc(C)c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
KDM4E B2RXH2 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
MAPT P10636 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CTNNB1 P35222 2/20 0.53
WNT3A P56704 2/20 0.53
ALDH1A1 P00352 3/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49

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
SCHEMBL26090283 0.86 CTNNB1 (0.58) MEN1KMT2AHPGDMAPTCTNNB1
SCHEMBL3948073 0.86 MEN1 (0.60) MEN1KMT2AKDM4ESMN1; SMN2HPGD
SCHEMBL15965424 0.86 CTNNB1 (0.53) MEN1KMT2AKDM4ESMN1; SMN2RAB9A
SCHEMBL29578705 0.85 MEN1 (0.73) MEN1KMT2AKDM4ESMN1; SMN2HPGD
SCHEMBL515746 0.85 MEN1 (0.73) MEN1KMT2AKDM4ESMN1; SMN2HPGD
SCHEMBL11335265 0.84 MAPT (0.55) MEN1KMT2AHPGDMAPTCYP1A2
SCHEMBL12937549 0.84 CTNNB1 (0.51) MEN1KMT2AKDM4ERAB9AMAPT
SCHEMBL15965411 0.84 GSK3B (0.56) MEN1KMT2ARAB9AMAPTCYP1A2
SCHEMBL12378894 0.82 MEN1 (0.68) MEN1KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL1396833 0.82 MEN1 (0.68) MEN1KMT2AKDM4ESMN1; SMN2HPGD

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 MEN1 4825/4885KMT2A 951/4885KDM4E 184/4885
US-20140235838-A1 SELECTIVE AEROBIC ALCOHOL OXIDATION METHOD FOR CONVERSION OF LIGNIN INTO SIMPLE AROMATIC COMPOUNDS AOX1, SOD1, NOX4 MEN1 4458/4885KMT2A 1052/4885KDM4E 715/4885

“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.