SCHEMBL4545366

SCHEMBL4545366

CCN=Cc1ccc(C)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 9/20 0.46
MAPT P10636 8/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PKM P14618 4/20 0.44
POLB P06746 2/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL13449088 0.79 MEN1 (0.49) CYP1A2MEN1KMT2AKDM4EALDH1A1
SCHEMBL14781208 0.77 CYP1A2 (0.48) CYP1A2MEN1KMT2AKDM4EALDH1A1
SCHEMBL14781209 0.76 CYP1A2 (0.43) CYP1A2MEN1KMT2AKDM4EALDH1A1
SCHEMBL17367520 0.76
SCHEMBL13449158 0.74 KDM4E (0.49) CYP1A2MEN1KMT2AKDM4EALDH1A1
SCHEMBL7349983 0.74
SCHEMBL10920917 0.74
SCHEMBL7349985 0.74
SCHEMBL9655016 0.74
SCHEMBL3723021 0.73

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-8178516-B2 Composition of 4-guanidinobenzoic acid HCl, a co-agent suitable for systemic administration solely via the oral route, antioxidants, vitamins, metabolites Sylvan Labs, LLC (US) 2012-05-15 US disclosed
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases SHAPIRO HOWARD K 2008-09-25 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 (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-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases HMGB1, PCCA, QSOX1 CYP1A2 397/4885MEN1 4870/4885KMT2A 1426/4885

“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.