SCHEMBL5624927

SCHEMBL5624927

CCOc1ccc(NC(C)CC)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
TDP1 Q9NUW8 4/20 0.69
TSHR P16473 3/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
TP53 P04637 1/20 0.69
HSP90AA1 P07900 1/20 0.69
CYP3A4 P08684 1/20 0.69
THRB P10828 1/20 0.69
ALOX15 P16050 1/20 0.69
CASP1 P29466 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
HIF1A Q16665 1/20 0.69
HSD17B10 Q99714 1/20 0.69
NQO1 P15559 1/20 0.54
GAA P10253 4/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL11529455 0.89 ALDH1A1 (0.69) ALDH1A1TDP1TSHRL3MBTL1TP53
Glycolic Acid SCHEMBL8597311 0.87 ALDH1A1 (0.59) ALDH1A1TDP1TSHRL3MBTL1TP53
SCHEMBL11524911 0.87 ALDH1A1 (0.67) ALDH1A1TDP1TSHRL3MBTL1TP53
SCHEMBL11529008 0.87 ALDH1A1 (0.67) ALDH1A1TDP1TSHRL3MBTL1TP53
SCHEMBL11533693 0.85 ALDH1A1 (0.64) ALDH1A1TDP1TSHRL3MBTL1TP53
SCHEMBL14813058 0.85 ALDH1A1 (0.54) ALDH1A1TDP1TSHRL3MBTL1TP53
SCHEMBL11531576 0.85 ALDH1A1 (0.64) ALDH1A1TDP1TSHRL3MBTL1TP53
SCHEMBL10037101 0.84 NQO1 (0.58) ALDH1A1TDP1TSHRL3MBTL1NQO1
SCHEMBL49805 0.83 ALDH1A1 (1.00) ALDH1A1TDP1TSHRL3MBTL1TP53
SCHEMBL20632768 0.82 ALDH1A1 (0.72) ALDH1A1TDP1TSHRL3MBTL1TP53

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310623-A1 AMINE GAS TREATMENT SOLUTIONS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2013-11-21 US disclosed
WO-2013173423-A1 AMINE GAS TREATMENT SOLUTIONS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2013-11-21 WO disclosed
US-20130252865-A1 LUBRICATING OIL COMPOSITIONS HARTLEY JOSEPH P (GB) 2013-09-26 US disclosed
EP-2574656-A1 Lubricating oil compositions Infineum International Limited (GB) 2013-04-03 EP disclosed
US-7199170-B2 Non-xenoestrogenic stabilizers for organic materials CROMPTON CORPORATION (US) 2007-04-03 US disclosed
US-20050080172-A1 Non-xenoestrogenic stabilizers for organic materials CK WITCO CORPORATION 2005-04-14 US disclosed
US-6858662-B2 Non-xenoestrogenic stabilizers for organic materials CROMPTON CORPORATION (US) 2005-02-22 US disclosed
US-20030096890-A1 Non-xenoestrogenic stabilizers for organic materials CROMPTON CORPORATION 2003-05-22 US disclosed
US-6541549-B2 Oxidation resistance CROMPTON CORPORATION 2003-04-01 US disclosed
EP-1240245-A1 NON-XENOESTROGENIC PHOSPHITE STABILIZERS FOR ORGANIC MATERIALS Crompton Corporation (US) 2002-09-18 EP disclosed
US-4069196-A Piperidyl esters of higher di-tri-, and polybasic aliphatic carboxylic acids as stabilizers for polymeric materials CIBA-GEIGY CORPORATION (US) 1978-01-17 US disclosed
US-4066616-A ORGANIC POLYMERS CIBA-GEIGY CORPORATION (US) 1978-01-03 US disclosed
US-4055539-A Alkylidene-bisphenols containing sulphur, and their use as stabilizers CIBA-GEIGY CORPORATION (US) 1977-10-25 US disclosed
US-4013619-A STABILIZERS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1977-03-22 US disclosed
US-3971803-A DISCOLORATION INHIBITION, POLYMER STABILIZERS CIBA-GEIGY CORPORATION (US) 1976-07-27 US disclosed
US-3959413-A POLYOLEFIN STABILIZERS CIBA-GEIGY CORPORATION (US) 1976-05-25 US disclosed
US-3956298-A POLYMER STABILIZERS CIBA-GEIGY CORPORATION (US) 1976-05-11 US disclosed
US-3948854-A Salicylic acid hydrazide stabilizers for polymers CIBA-GEIGY CORPORATION (US) 1976-04-06 US disclosed
US-3944632-A Phosphoric acid anilides CIBA-GEIGY CORPORATION (US) 1976-03-16 US disclosed
US-3943096-A Use of hydroxyphenylurethanes for stabilising elastomers CIBA-GEIGY CORPORATION (US) 1976-03-09 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-20130310623-A1 AMINE GAS TREATMENT SOLUTIONS GPX4, OAT, HNMT ALDH1A1 1446/4885TDP1 2291/4885TSHR 3422/4885

“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.