SCHEMBL11046196

SCHEMBL11046196

BrCc1ccc(C2(c3ccccc3)OCCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TRPA1 O75762 1/20 0.46
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CYP26A1 O43174 2/20 0.38
CYP26B1 Q9NR63 2/20 0.38
CHEK2 O96017 1/20 0.35
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HTR1A P08908 2/20 0.31
ADRA1D P25100 1/20 0.31

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
SCHEMBL1256099 0.82 CHEK2 (0.39) TSHRALDH1A1CYP26A1CYP26B1CHEK2
SCHEMBL5605256 0.81 LOXL2 (0.46) CYP26A1CYP26B1CHEK2
SCHEMBL16058427 0.81 TSHR (0.46) TSHRCYP26A1CYP26B1CHEK2MAPK1
SCHEMBL9152361 0.80 CYP26A1 (0.39) CYP26A1CYP26B1CHEK2SIGMAR1
SCHEMBL11041681 0.80 MAOB (0.41) ALDH1A1
SCHEMBL27825774 0.80 CHEK2 (0.38) TSHRALDH1A1CYP26A1CYP26B1CHEK2
SCHEMBL3565013 0.79 ALDH1A1 (0.40) ALDH1A1CYP26A1CYP26B1CHEK2MAPK1
SCHEMBL15012931 0.75 CYP26A1 (0.42) ALDH1A1CYP26A1CYP26B1CHEK2RXRA
SCHEMBL14081492 0.75 OPRM1 (0.42) TSHRCYP26A1CYP26B1CHEK2SMN1; SMN2
SCHEMBL14778257 0.73 GAA (0.46) MAPK1L3MBTL1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180360824-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-12-20 US disclosed
US-10022371-B2 Procaspase-activating compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-07-17 US disclosed
US-10022371-B2 Procaspase-activating compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-07-17 US disclosed
US-10022371-B2 Procaspase-activating compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-07-17 US disclosed
US-9663482-B2 Substituted piperazinyl acetohydrazide procaspase-activating compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-05-30 US disclosed
US-9663482-B2 Substituted piperazinyl acetohydrazide procaspase-activating compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-05-30 US disclosed
US-20160176833-A1 ENZYME-ACTIVATING COMPOUNDS AND COMPOSITIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-06-23 US disclosed
US-20160176833-A1 ENZYME-ACTIVATING COMPOUNDS AND COMPOSITIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-06-23 US disclosed
US-9249116-B2 Enzyme-activating compounds and compositions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-02-02 US disclosed
US-9249116-B2 Enzyme-activating compounds and compositions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-02-02 US disclosed
US-20150210659-A1 PARTICULATE DRUG DELIVERY METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-07-30 US disclosed
US-20150210659-A1 PARTICULATE DRUG DELIVERY METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-07-30 US disclosed
US-8916705-B2 Procaspase-activating compounds and compositions The Board of Trustees of The University of Illilnois (US) 2014-12-23 US disclosed
US-8916705-B2 Procaspase-activating compounds and compositions The Board of Trustees of The University of Illilnois (US) 2014-12-23 US disclosed
US-8916705-B2 Procaspase-activating compounds and compositions The Board of Trustees of The University of Illilnois (US) 2014-12-23 US disclosed
WO-2014022858-A1 ENZYME-ACTIVATING COMPOUNDS AND COMPOSITIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-02-06 WO disclosed
US-20130096133-A1 PROCASPASE-ACTIVATING COMPOUNDS AND COMPOSITIONS The Board of Trustees of the University lllinois (US) 2013-04-18 US disclosed
US-20130096133-A1 PROCASPASE-ACTIVATING COMPOUNDS AND COMPOSITIONS The Board of Trustees of the University lllinois (US) 2013-04-18 US disclosed
US-20130096133-A1 PROCASPASE-ACTIVATING COMPOUNDS AND COMPOSITIONS The Board of Trustees of the University lllinois (US) 2013-04-18 US disclosed
EP-0104572-A1 Benzyl ethers of phenol Mannich bases, process for their production, their use and pharmaceutical preparations based on these compounds, intermediates and process for their production HOECHST AKTIENGESELLSCHAFT (DE) 1984-04-04 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 (5 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-20150210659-A1 PARTICULATE DRUG DELIVERY METHODS CASP3, BAX, CASP5 TSHR 4609/4885ALDH1A1 2026/4885TRPA1 3935/4885
US-20180360824-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS CASP3, CASP5, CASP6 TSHR 4827/4885ALDH1A1 3075/4885TRPA1 3193/4885
US-20130096133-A1 PROCASPASE-ACTIVATING COMPOUNDS AND COMPOSITIONS CASP3, CASP5, CASP6 TSHR 4839/4885ALDH1A1 3462/4885TRPA1 2857/4885
US-10022371-B2 Procaspase-activating compounds and methods CASP3, CASP5, CASP6 TSHR 4827/4885ALDH1A1 3075/4885TRPA1 3193/4885
US-20160176833-A1 ENZYME-ACTIVATING COMPOUNDS AND COMPOSITIONS RNASE1, CASP3, CASP5 TSHR 4811/4885ALDH1A1 1073/4885TRPA1 4305/4885

“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.