SCHEMBL19985680

SCHEMBL19985680

CC(C)(C)CC(C)(C)c1ccc(Nc2ccc(C(C)(C)CC(C)(C)C)c(O)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.50
CYP3A4 P08684 4/20 0.40
HIF1A Q16665 4/20 0.40
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MDH1 P40925 10/20 0.38
MDH2 P40926 10/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
ESR1 P03372 1/20 0.37
TP53 P04637 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AR P10275 1/20 0.37
MAPT P10636 1/20 0.37
DRD1 P21728 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
PDE4A P27815 1/20 0.37

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
SCHEMBL19985678 0.88 MAPT (0.44) CYP3A4CYP2D6SMN1; SMN2MEN1KMT2A
SCHEMBL4629051 0.82 SHBG (0.57) SHBGCYP3A4HIF1ACYP2D6SMN1; SMN2
SCHEMBL411772 0.82 SHBG (0.59) SHBGCYP3A4HIF1ACYP2D6SMN1; SMN2
SCHEMBL19985679 0.79 CYP3A4 (0.54) SHBGCYP3A4HIF1ACYP2D6SMN1; SMN2
SCHEMBL20951293 0.77 SHBG (0.53) SHBGCYP3A4SMN1; SMN2MDH1MDH2
SCHEMBL8962181 0.75 SHBG (0.52) SHBGCYP3A4HIF1ACYP2D6SMN1; SMN2
SCHEMBL31647827 0.75 SHBG (0.44) SHBGCYP3A4HIF1ACYP2D6SMN1; SMN2
SCHEMBL10981747 0.74 SHBG (0.52) SHBGCYP3A4HIF1ACYP2D6SMN1; SMN2
SCHEMBL8962143 0.74 ALDH1A1 (0.56) SHBGCYP3A4HIF1ACYP2D6SMN1; SMN2
SCHEMBL70826 0.73 SHBG (0.53) SHBGCYP3A4HIF1ACYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3516019-B1 LUBRICANT COMPOSITIONS STABILIZED BY MIXTURES OF DIARYLAMINE AND HYDROXYDIARYLAMINE ANTIOXIDANTS LANXESS CORP (US) 2023-06-14 EP disclosed
EP-3516020-B1 ALKYLATED 3-HYDROXYDIPHENYLAMINE ANTIOXIDANTS LANXESS CORP (US) 2022-05-25 EP disclosed
US-10723969-B2 Lubricant compositions stabilized by mixtures of diarylamine and hydroxydiarylamine antioxidants LANXESS SOLUTIONS US INC. (US) 2020-07-28 US disclosed
US-10563145-B2 Alkylated 3-hydroxydiphenylamine antioxidants LANXESS SOLUTIONS US INC. (US) 2020-02-18 US disclosed
WO-2018057366-A1 ALKYLATED 3-HYDROXYDIPHENYLAMINE ANTIOXIDANTS LANXESS SOLUTIONS US INC. (US) 2018-03-29 WO disclosed
WO-2018057364-A1 LUBRICANT COMPOSITIONS STABILIZED BY MIXTURES OF DIARYLAMINE AND HYDROXYDIARYLAMINE ANTIOXIDANTS LANXESS SOLUTIONS US INC. (US) 2018-03-29 WO disclosed
US-20180079987-A1 LUBRICANT COMPOSITIONS STABILIZED BY MIXTURES OF DIARYLAMINE AND HYDROXYDIARYLAMINE 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
US-20180079985-A1 ALKYLATED 3-HYDROXYDIPHENYLAMINE ANTIOXIDANTS LANXESS SOLUTIONS US INC. 2018-03-22 US disclosed
US-20180079985-A1 ALKYLATED 3-HYDROXYDIPHENYLAMINE 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 (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-20180079985-A1 ALKYLATED 3-HYDROXYDIPHENYLAMINE ANTIOXIDANTS GPX4, GSTO1, LPO SHBG 376/4885CYP3A4 478/4885HIF1A 2095/4885
US-10563145-B2 Alkylated 3-hydroxydiphenylamine antioxidants GPX4, GSTO1, LPO SHBG 376/4885CYP3A4 478/4885HIF1A 2095/4885

“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.