SCHEMBL19985677

SCHEMBL19985677

CCCCCCc1ccc(Nc2c(C)cc(C)cc2C)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.57
CYP3A4 P08684 2/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
TP53 P04637 1/20 0.57
ALOX5 P09917 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
RAPGEF4 Q8WZA2 11/20 0.47
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42

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
SCHEMBL19987276 0.85 TYR (0.58) TYRCYP3A4MAPTMEN1TP53
SCHEMBL19986528 0.79 TYR (0.58) TYRCYP3A4MAPTMEN1TP53
SCHEMBL19985673 0.78 TYR (0.56) TYRCYP3A4MAPTMEN1TP53
SCHEMBL3358965 0.76 TYR (0.71) TYRCYP3A4MAPTMEN1TP53
SCHEMBL8590686 0.76 TYR (0.71) TYRCYP3A4MAPTMEN1TP53
SCHEMBL8402868 0.76 TYR (0.71) TYRCYP3A4MAPTMEN1TP53
SCHEMBL9504248 0.76 TYR (0.71) TYRCYP3A4MAPTMEN1TP53
SCHEMBL70910 0.74 TYR (1.00) TYRCYP3A4MAPTMEN1TP53
SCHEMBL5675182 0.74 TYR (1.00) TYRCYP3A4MAPTMEN1TP53
Hexylresorcinol SCHEMBL29107 0.74 TYR (1.00) TYRCYP3A4MAPTMEN1TP53

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-20180079985-A1 ALKYLATED 3-HYDROXYDIPHENYLAMINE ANTIOXIDANTS LANXESS SOLUTIONS US INC. 2018-03-22 US disclosed
US-20180079987-A1 LUBRICANT COMPOSITIONS STABILIZED BY MIXTURES OF DIARYLAMINE AND HYDROXYDIARYLAMINE ANTIOXIDANTS LANXESS SOLUTIONS US INC. 2018-03-22 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-20180079985-A1 ALKYLATED 3-HYDROXYDIPHENYLAMINE ANTIOXIDANTS GPX4, GSTO1, LPO TYR 11/4885CYP3A4 478/4885MAPT 2367/4885

“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.