SCHEMBL3686863

SCHEMBL3686863

CN(C)Cc1ccc(C(C)(C)C)c(O)c1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
CYP2C19 P33261 3/20 0.49
GAA P10253 2/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
CYP2D6 P10635 4/20 0.47
CYP1A2 P05177 3/20 0.47
ALOX15 P16050 2/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
CA2 P00918 1/20 0.41
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
G6PD P11413 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 1/20 0.39
HKDC1 Q2TB90 1/20 0.39

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
SCHEMBL15129714 0.86 ALDH1A1 (0.49) ALDH1A1CYP2C19GAATSHRLMNA
SCHEMBL27388601 0.83 ALDH1A1 (0.39) ALDH1A1CYP2C19GAATSHRLMNA
SCHEMBL10787272 0.83 ALDH1A1 (0.43) ALDH1A1GAATSHRLMNACYP2D6
SCHEMBL10790211 0.82 ALDH1A1 (0.49) ALDH1A1CYP2C19GAATSHRLMNA
SCHEMBL10893525 0.81 CA2 (0.46) ALDH1A1CYP2C19GAATSHRLMNA
SCHEMBL158900 0.81 CA2 (0.46) ALDH1A1CYP2C19GAATSHRLMNA
SCHEMBL30697134 0.81 CA2 (0.46) ALDH1A1CYP2C19GAATSHRLMNA
SCHEMBL430925 0.79 CA2 (0.45) ALDH1A1CYP2C19TSHRLMNACYP2D6
SCHEMBL3636222 0.79 CA2 (0.45) ALDH1A1CYP2C19TSHRLMNACYP2D6
SCHEMBL29539350 0.79 CA2 (0.45) ALDH1A1CYP2C19TSHRLMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4677154-A Stabilizer package for polyurethane comprising a substituted cresol and another costabilizer BASF CORPORATION (US) 1987-06-30 US claimed
US-20180344693-A1 STABILIZED STATIN FORMULATIONS CUMBERLAND PHARMACEUTICALS INC. (US) 2018-12-06 US disclosed
EP-1853660-B1 STABILIZATION OF POLYOL OR POLYURETHANE COMPOSITIONS AGAINST THERMAL OXIDATION BASF SE (DE) 2010-06-23 EP disclosed
US-7541397-B2 Uretonimine-modified isocyanate composition and method of forming the same BASF CORPORATION (US) 2009-06-02 US disclosed
US-20070213432-A1 URETONIMINE-MODIFIED ISOCYANATE COMPOSITION AND METHOD OF FORMING THE SAME BASF CORPORATION 2007-09-13 US disclosed
US-7262319-B2 Phenolic antioxidants in crystalline form CIBA SPECIALTY CHEMICALS CORP. (US) 2007-08-28 US disclosed
US-20060189820-A1 Phenolic antioxidants in crystalline form CIBA SPECIALTY CHEMICALS CORPORATION 2006-08-24 US disclosed
US-6916960-B2 Diol-functionalized antioxidant and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-07-12 US disclosed
US-20040192969-A1 Diol-functionalized antioxidant and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2004-09-30 US disclosed
US-4677154-A Stabilizer package for polyurethane comprising a substituted cresol and another costabilizer BASF CORPORATION (US) 1987-06-30 US disclosed
US-4677154-A Stabilizer package for polyurethane comprising a substituted cresol and another costabilizer BASF CORPORATION (US) 1987-06-30 US disclosed
EP-0116712-B1 SYNTHESIS OF HINDERED PHENOLS ETHYL CORPORATION (US) 1987-03-25 EP disclosed
EP-0116712-A1 Synthesis of hindered phenols ETHYL CORPORATION (US) 1984-08-29 EP disclosed
WO-1984002336-A1 ANTIOXIDANT SYNTHESIS ETHYL CORP (US) 1984-06-21 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 (3 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-20060189820-A1 Phenolic antioxidants in crystalline form HAAO, PPOX, PNPO ALDH1A1 763/4885CYP2C19 1730/4885GAA 3335/4885
US-20180344693-A1 STABILIZED STATIN FORMULATIONS HMGCR, PCSK9, NPC1L1 ALDH1A1 2830/4885CYP2C19 233/4885GAA 708/4885
US-20040192969-A1 Diol-functionalized antioxidant and process for preparation thereof GPX1, GPX4, SOD1 ALDH1A1 42/4885CYP2C19 1125/4885GAA 3145/4885

“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.