SCHEMBL2406523

SCHEMBL2406523

N#CCC(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
KCNN4 O15554 3/20 0.38
ALDH1A1 P00352 7/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
OPRK1 P41145 2/20 0.36
KCNH2 Q12809 2/20 0.36
ADRA1A P35348 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 5/20 0.34
KCNA3 P22001 2/20 0.34
MCL1 Q07820 1/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
CYP2C19 P33261 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP1A2 P05177 2/20 0.33

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
SCHEMBL2406465 0.82 KCNN4 (0.42) KIF11KCNN4ALDH1A1HTR2AHTR2C
SCHEMBL4955482 0.81 KCNN4 (0.45) KIF11KCNN4ALDH1A1HTR2AHTR2C
SCHEMBL28773131 0.79 HTR2A (0.40) KIF11KCNN4ALDH1A1HTR2AHTR2C
SCHEMBL19910510 0.78 ALDH1A1 (0.40) KIF11KCNN4ALDH1A1HTR2AHTR2C
SCHEMBL28773037 0.77 KIF11 (0.38) KIF11KCNN4ALDH1A1HTR2AHTR2C
SCHEMBL28773127 0.77 KDM4E (0.42) KIF11KCNN4ALDH1A1HTR2AHTR2C
SCHEMBL28772995 0.76 KCNN4 (0.44) KIF11KCNN4ALDH1A1HTR2AHTR2C
SCHEMBL25657469 0.76 KCNH2 (0.40) KIF11KCNN4HTR2AHTR2COPRK1
SCHEMBL16538949 0.76 KIF11 (0.40) KIF11KCNN4HTR2AHTR2COPRK1
SCHEMBL15761354 0.75 KIF11 (0.39) KIF11KCNN4HTR2AHTR2COPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215116-B1 A HIGH MOLECULAR WEIGHT BIODEGRADABLE GELATIN-DOXORUBICIN CONJUGATE UNIV OF THE SCIENCES IN PHILADELPHIA (US) 2020-09-30 EP disclosed
US-10265413-B2 High molecular weight biodegradable gelatin-doxorubicin conjugate UNIVERSITY OF THE SCIENCES IN PHILADELPHIA (US) 2019-04-23 US disclosed
US-10005816-B2 Peptides and their use in food and beverage The Folger Coffee Company (US) 2018-06-26 US disclosed
US-20170354741-A1 HIGH MOLECULAR WEIGHT BIODEGRADABLE GELATIN-DOXORUBICIN CONJUGATE UNIVERSITY OF THE SCIENCES IN PHILADELPHIA (US) 2017-12-14 US disclosed
EP-3215116-A1 A HIGH MOLECULAR WEIGHT BIODEGRADABLE GELATIN-DOXORUBICIN CONJUGATE University of the Sciences in Philadelphia (US) 2017-09-13 EP disclosed
EP-2205624-B1 INSULINOTROPIC PEPTIDE SYNTHESIS USING SOLID AND SOLUTION PHASE COMBINATION TECHNIQUES CORDEN PHARMA COLORADO INC (US) 2016-09-07 EP disclosed
US-20160165916-A1 NOVEL PEPTIDES AND THEIR USE IN FOOD AND BEVERAGE The Folger Coffee Company 2016-06-16 US disclosed
WO-2016077083-A1 A HIGH MOLECULAR WEIGHT BIODEGRADABLE GELATIN-DOXORUBICIN CONJUGATE UNIVERSITY OF THE SCIENCES IN PHILADELPHIA (US) 2016-05-19 WO disclosed
WO-2016070241-A1 TRIAZINE COMPOUNDS, COMPOSITIONS AND SYNTHESIS CTXT PTY LTD (AU) 2016-05-12 WO disclosed
US-20140343227-A1 Diketopiperazine Forming Dipeptidyl Linker LONZA AG (CH) 2014-11-20 US disclosed
US-20080004429-A1 Insulinotropic peptide synthesis using solid and solution phase combination techniques ROCHE PALO ALTO LLC 2008-01-03 US disclosed
WO-2007147816-A1 INSULINOTROPIC PEPTIDE SYNTHESIS F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO disclosed
EP-1856142-A1 SYNTHESIS OF PEPTIDE T-1249 USING PEPTIDE INTERMEDIATE FRAGMENTS F. Hoffmann-Roche AG (CH) 2007-11-21 EP disclosed
EP-1833843-A1 SYNTHESIS OF PEPTIDE T-20 USING PEPTIDE INTERMEDIATE FRAGMENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-09-19 EP disclosed
US-20070213504-A1 Synthesis using peptide intermediate fragments ROCHE COLORADO CORPORATION 2007-09-13 US disclosed
US-20060276624-A1 Synthesis using peptide intermediate fragments ROCHE COLORADO CORPORATION 2006-12-07 US disclosed
US-20060173163-A1 Synthesis using peptide intermediate fragments ROCHE COLORADO CORPORATION 2006-08-03 US disclosed
WO-2006069729-A1 SYNTHESIS OF PEPTIDE T-1249 USING PEPTIDE INTERMEDIATE FRAGMENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-06 WO disclosed
WO-2006069727-A2 SYNTHESIS OF PEPTIDE T-20 USING PEPTIDE INTERMEDIATE FRAGMENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-06 WO disclosed
WO-2006069728-A1 SYNTHESIS OF PEPTIDE T-20 USING PEPTIDE INTERMEDIATE FRAGMENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-06 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 (4 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-20170354741-A1 HIGH MOLECULAR WEIGHT BIODEGRADABLE GELATIN-DOXORUBICIN CONJUGATE MMP2, DNASE1L3, DNASE1 KIF11 905/4885KCNN4 4626/4885ALDH1A1 620/4885
US-10265413-B2 High molecular weight biodegradable gelatin-doxorubicin conjugate MMP2, DNASE1L3, DNASE1 KIF11 905/4885KCNN4 4626/4885ALDH1A1 620/4885
US-20080004429-A1 Insulinotropic peptide synthesis using solid and solution phase combination techniques IAPP, GLP1R, GIPR KIF11 2535/4885KCNN4 3754/4885ALDH1A1 4845/4885
US-20140343227-A1 Diketopiperazine Forming Dipeptidyl Linker FAP, IAPP, DNPEP KIF11 3584/4885KCNN4 4354/4885ALDH1A1 3924/4885

“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.