SCHEMBL4448263

SCHEMBL4448263

Oc1ccccc1-c1cnoc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
BCL2L1 Q07817 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CASP3 P42574 3/20 0.47
SENP8 Q96LD8 3/20 0.47
SENP7 Q9BQF6 3/20 0.47
SENP6 Q9GZR1 3/20 0.47
CHUK O15111 1/20 0.47
TXNRD1 Q16881 1/20 0.47
NOX4 Q9NPH5 1/20 0.47
TDO2 P48775 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 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
SCHEMBL739660 0.81 TDO2 (0.61) TDO2L3MBTL1LMNAMAPT
SCHEMBL6727622 0.79 ABL1 (0.46) HPGDALDH1A1BCL2L1HSD17B10CASP3
SCHEMBL19367722 0.75 ALDH1A1 (0.51) HPGDALDH1A1HSD17B10TDO2SMN1; SMN2
SCHEMBL19367745 0.74 KMT2A (0.44) HPGDALDH1A1BCL2L1HSD17B10CASP3
SCHEMBL17532958 0.74 TDO2 (0.58) HPGDALDH1A1BCL2L1HSD17B10CASP3
SCHEMBL6764765 0.73 SMN1; SMN2 (0.45) HPGDALDH1A1BCL2L1HSD17B10CASP3
SCHEMBL23596603 0.71 TDO2 (0.46) HPGDALDH1A1HSD17B10TDO2SMN1; SMN2
SCHEMBL23596950 0.71 TDO2 (0.46) HPGDALDH1A1HSD17B10TDO2SMN1; SMN2
2-Phenylphenol SCHEMBL6281141 0.71 ALDH1A1 (0.94) HPGDALDH1A1BCL2L1HSD17B10CASP3
SCHEMBL13344638 0.71 TDO2 (0.60) HPGDALDH1A1BCL2L1HSD17B10CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GILLESPIE PAUL 2009-06-18 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-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, GSK3A HPGD 1332/4885ALDH1A1 633/4885BCL2L1 3570/4885

“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.