SCHEMBL5486791

SCHEMBL5486791

CNc1cc(C(C)(C)C)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
HPGD P15428 1/20 0.59
ALOX15 P16050 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
RECQL P46063 1/20 0.53
CYP2D6 P10635 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B2 P37059 4/20 0.44
ESR1 P03372 2/20 0.44
WDR5 P61964 1/20 0.43
LMNA P02545 1/20 0.43
TYR P14679 1/20 0.43
SIRT1 Q96EB6 1/20 0.42
HDAC4 P56524 1/20 0.41

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
SCHEMBL30035302 1.00 ALDH1A1 (0.59) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL2620528 0.88 ESR1 (0.57) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL15457920 0.83 ALDH1A1 (0.59) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL13894365 0.82 MEN1 (0.62) ALOX15HSD17B10MEN1KMT2AGAA
SCHEMBL1265209 0.81 ESR1 (0.46) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4211344 0.79 ALDH1A1 (0.53) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL2620521 0.79 MEN1 (0.46) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL14354625 0.77 POLB (0.54) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL21140989 0.77 ALDH1A1 (0.52) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL12115605 0.77 MAPT (0.58) ALDH1A1HPGDALOX15HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3638647-B1 PROCESS FOR MONO N-ALKYLATION OF AMINOPHENOL SABIC GLOBAL TECHNOLOGIES BV (NL) 2024-01-17 EP disclosed
EP-3638647-B1 PROCESS FOR MONO N-ALKYLATION OF AMINOPHENOL SABIC GLOBAL TECHNOLOGIES BV (NL) 2024-01-17 EP disclosed
EP-3353146-B1 SYNTHESIS OF SUBSTITUTED AMIDOBENZOATE COMPOUNDS, THE COMPOUNDS OBTAINED AND THE USE THEREOF AS PHTHALATE FREE INTERNAL ELECTRON DONOR FOR POLYMERIZATION OF OLEFINS SABIC GLOBAL TECHNOLOGIES BV (NL) 2023-10-25 EP disclosed
EP-3353146-B1 SYNTHESIS OF SUBSTITUTED AMIDOBENZOATE COMPOUNDS, THE COMPOUNDS OBTAINED AND THE USE THEREOF AS PHTHALATE FREE INTERNAL ELECTRON DONOR FOR POLYMERIZATION OF OLEFINS SABIC GLOBAL TECHNOLOGIES BV (NL) 2023-10-25 EP disclosed
CN-110740987-B Method for mono-N-alkylation of aminophenols SABIC环球技术有限责任公司 2023-04-21 CN disclosed
CN-108349873-B Synthesis of substituted amidobenzoate compounds and their use as phthalate-free internal electron donors SABIC环球技术有限责任公司 2022-12-23 CN disclosed
US-11066354-B2 Process for mono N-alkylation of aminophenol SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2021-07-20 US disclosed
US-11066354-B2 Process for mono N-alkylation of aminophenol SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2021-07-20 US disclosed
US-20200140373-A1 PROCESS FOR MONO N-ALKYLATION OF AMINOPHENOL SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2020-05-07 US disclosed
US-20200140373-A1 PROCESS FOR MONO N-ALKYLATION OF AMINOPHENOL SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2020-05-07 US disclosed
CN-108349873-A Synthesis of substituted amidobenzoate compounds, the compounds obtained and use of said compounds as phthalate-free internal electron donors for polymerizing olefins SABIC环球技术有限责任公司 2018-07-31 CN disclosed
WO-2017050870-A9 SYNTHESIS OF SUBSTITUTED AMIDOBENZOATE COMPOUNDS, THE COMPOUNDS OBTAINED AND THE USE THEREOF AS PHTHALATE FREE INTERNAL ELECTRON DONOR FOR POLYMERIZATION OF OLEFINS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2018-01-25 WO disclosed
WO-2017050870-A9 SYNTHESIS OF SUBSTITUTED AMIDOBENZOATE COMPOUNDS, THE COMPOUNDS OBTAINED AND THE USE THEREOF AS PHTHALATE FREE INTERNAL ELECTRON DONOR FOR POLYMERIZATION OF OLEFINS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2018-01-25 WO disclosed
US-9845318-B2 Class of near infrared optical probes for biological applications THE UNIVERSITY OF AKRON (US) 2017-12-19 US disclosed
WO-2017050870-A1 SYNTHESIS OF SUBSTITUTED AMIDOBENZOATE COMPOUNDS, THE COMPOUNDS OBTAINED AND THE USE THEREOF AS PHTHALATE FREE INTERNAL ELECTRON DONOR FOR POLYMERIZATION OF OLEFINS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-03-30 WO disclosed
WO-2017050870-A1 SYNTHESIS OF SUBSTITUTED AMIDOBENZOATE COMPOUNDS, THE COMPOUNDS OBTAINED AND THE USE THEREOF AS PHTHALATE FREE INTERNAL ELECTRON DONOR FOR POLYMERIZATION OF OLEFINS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-03-30 WO disclosed
WO-2009055357-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 WO disclosed
EP-1633715-B1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LTD (GB) 2007-09-05 EP disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 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 (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-11066354-B2 Process for mono N-alkylation of aminophenol CYP4A11, CYP4B1, TYR ALDH1A1 1130/4885HPGD 2251/4885ALOX15 608/4885
US-20200140373-A1 PROCESS FOR MONO N-ALKYLATION OF AMINOPHENOL CYP4A11, CYP4B1, TYR ALDH1A1 1130/4885HPGD 2251/4885ALOX15 608/4885

“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.