SCHEMBL678214

SCHEMBL678214

COc1cc(C)cc(C)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.57
ACHE P22303 2/20 0.52
EGFR P00533 1/20 0.49
GAA P10253 3/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
PTPN1 P18031 1/20 0.44
PTGS2 P35354 4/20 0.43
ALOX5 P09917 3/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
MPI P34949 1/20 0.43
RECQL P46063 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43

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
SCHEMBL562147 0.87 ERN1 (0.63) ERN1ACHEGAAMAPTALDH1A1
SCHEMBL16024748 0.87 ERN1 (0.50) ERN1ACHEEGFRGAAMAPT
SCHEMBL10053939 0.83 SELL (0.62) ERN1ACHEEGFRGAAMAPT
SCHEMBL18998295 0.82 ERN1 (0.46) ERN1ACHEGAAMAPTALDH1A1
SCHEMBL7520392 0.81 ERN1 (0.57) ERN1ACHEGAAMAPTALDH1A1
SCHEMBL684396 0.81 ALOX5 (0.59) ERN1EGFRGAAMAPTLMNA
SCHEMBL11581623 0.79 ABL1 (0.52) ERN1EGFRALDH1A1LMNAPTPN1
SCHEMBL16707206 0.79 ERN1 (0.42) ERN1ACHEEGFRGAAMAPT
SCHEMBL16362239 0.79 AKR1B1 (0.61) EGFRGAAMAPTKDM4EPTPN1
SCHEMBL11330721 0.77 EGFR (0.46) ERN1EGFRGAAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210155791-A1 SULFONATED MODIFIERS FOR FROTH FLOTATION ECOLAB USA INC. 2021-05-27 US disclosed
CN-112079697-A Preparation method of 5-methyl vanillin 上海应用技术大学 2020-12-15 CN disclosed
CN-105142605-B 1, 2-alkane polyol-containing composition 大阪有机化学工业株式会社 2018-06-08 CN disclosed
US-9882137-B2 Organic semiconductor composition, organic thin film transistor, electronic paper, and display device FUJIFILM CORPORATION (JP) 2018-01-30 US disclosed
US-9795549-B2 1,2-alkane polyol-containing composition OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2017-10-24 US disclosed
WO-2017174206-A1 SULFONATED AROMATIC COMPOUNDS CMBLU PROJEKT AG (DE) 2017-10-12 WO disclosed
WO-2017174098-A1 METHOD FOR PRODUCING LOW MOLECULAR WEIGHT AROMATIC LIGNIN-DERIVED COMPOUNDS CMBLU PROJEKT AG (DE) 2017-10-12 WO disclosed
US-9738605-B2 Hybrid compounds of curcumin and melatonin as neuroprotectants for neurodegenerative disorders VIRGINIA COMMONWEALTH UNIVERSITY (US) 2017-08-22 US disclosed
US-20170179387-A1 ORGANIC SEMICONDUCTOR COMPOSITION, ORGANIC THIN FILM TRANSISTOR, ELECTRONIC PAPER, AND DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2017-06-22 US disclosed
US-20160045414-A1 1,2-ALKANE POLYOL-CONTAINING COMPOSITION OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2016-02-18 US disclosed
US-20110124832-A1 NOVEL LIVING RADICAL POLYMERIZATION METHOD USING ALCOHOL AS CATALYST KYOTO UNIVERSITY (JP) 2011-05-26 US disclosed
US-7897603-B2 Selected CGRP-antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
US-20090253680-A1 SELECTED CGRP-ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-08 US disclosed
US-20090203653-A1 Compositions and Methods Using Apocynin Compounds and Nitric Oxide Donors NITROMED, INC. (US) 2009-08-13 US disclosed
US-7528129-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-05 US disclosed
US-7455948-B2 Photosensitive resin composition TORAY INDUSTRIES, INC. (JP) 2008-11-25 US disclosed
WO-2008071587-A2 2-(PIPERIDIN-4-YL)-4-PHENOXY- OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 WO disclosed
US-7208481-B2 Aminodiphosphonate apolipoprotein E modulators ILEX PRODUCTS, INC. (US) 2007-04-24 US disclosed
US-7208481-B2 Aminodiphosphonate apolipoprotein E modulators ILEX PRODUCTS, INC. (US) 2007-04-24 US disclosed
EP-1770091-A1 CGRP-antagonists, process for their preparation as well as their use as medicaments Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-04-04 EP 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-20090253680-A1 SELECTED CGRP-ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, BDKRB2 ERN1 3283/4885ACHE 812/4885EGFR 2375/4885
US-20110124832-A1 NOVEL LIVING RADICAL POLYMERIZATION METHOD USING ALCOHOL AS CATALYST ADH5, ADH1A, ADH1C ERN1 2198/4885ACHE 1841/4885EGFR 3642/4885
US-20090203653-A1 Compositions and Methods Using Apocynin Compounds and Nitric Oxide Donors NOX4, NOS2, REN ERN1 2604/4885ACHE 941/4885EGFR 2449/4885

“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.