SCHEMBL5458032

SCHEMBL5458032

NNCc1ccc(O)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 5/20 0.58
CYP3A4 P08684 2/20 0.48
ALOX15 P16050 2/20 0.48
CYP1A2 P05177 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
ALOX5 P09917 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GFER P55789 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
MEN1 O00255 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL14521268 0.82 TYR (0.62) TYRCYP3A4ALOX15KMT2AMAPT
SCHEMBL6895047 0.80 TYR (0.60) TYRCYP3A4ALOX15KMT2AMAPT
SCHEMBL20852016 0.78 TYR (0.58) TYRALOX5KDM4ETSHR
SCHEMBL17715198 0.78 TYR (0.58) TYRCYP3A4ALOX15KMT2AMAPT
SCHEMBL11510302 0.75 EGFR (0.72) TYRALOX15MAPK1KMT2AMAPT
SCHEMBL633312 0.75 TYR (0.65) TYRCYP3A4ALOX15KMT2AMAPT
SCHEMBL30255614 0.75 TYR (0.65) TYRCYP3A4ALOX15KMT2AMAPT
SCHEMBL1397158 0.74 TYR (1.00) TYRCYP3A4ALOX15KMT2AMAPT
SCHEMBL51397 0.74 TYR (0.71) TYRCYP3A4ALOX15KMT2AMAPT
SCHEMBL2981070 0.74 EGFR (0.59) TYRMAPTALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078185-A1 Methods and compositions for controlling invertebrate pests MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2007-04-05 US claimed
WO-2006116184-A2 METHODS AND COMPOSITIONS FOR CONTROLLING INVERTEBRATE PESTS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-11-02 WO claimed
US-20070078185-A1 Methods and compositions for controlling invertebrate pests MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2007-04-05 US disclosed
US-20070078185-A1 Methods and compositions for controlling invertebrate pests MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2007-04-05 US disclosed
US-20070078185-A1 Methods and compositions for controlling invertebrate pests MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2007-04-05 US disclosed
WO-2006116184-A2 METHODS AND COMPOSITIONS FOR CONTROLLING INVERTEBRATE PESTS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-11-02 WO 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-20070078185-A1 Methods and compositions for controlling invertebrate pests DDT, TYR, DDC TYR 2/4885CYP3A4 3234/4885ALOX15 3657/4885

“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.