SCHEMBL71045

SCHEMBL71045

COC(Cl)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
RCE1 Q9Y256 1/20 0.43
IDO1 P14902 1/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 3/20 0.40
AGXT P21549 1/20 0.40
AOC3 Q16853 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAOB P27338 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL6025944 0.83 TSHR (0.48) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL3292550 0.82 TSHR (0.43) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL7302683 0.78 TSHR (0.48) TSHRRCE1IDO1SLC1A3SLC1A2
SCHEMBL19223076 0.78 TSHR (0.48) TSHRRCE1IDO1SLC1A3SLC1A2
SCHEMBL7302690 0.78 TSHR (0.48) TSHRRCE1IDO1SLC1A3SLC1A2
SCHEMBL5503634 0.78 TSHR (0.48) TSHRRCE1IDO1SLC1A3SLC1A2
SCHEMBL10344292 0.78 TSHR (0.52) TSHRIDO1SLC1A3SLC1A2SLC1A1
SCHEMBL683166 0.77 RCE1 (0.47) TSHRRCE1IDO1SLC1A3SLC1A2
SCHEMBL10528179 0.76 RCE1 (0.48) TSHRRCE1IDO1SLC1A3SLC1A2
SCHEMBL1456871 0.75 TSHR (0.44) TSHRRCE1IDO1SLC1A3SLC1A2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4653419-A1 LINKER FOR ANTIBODY-DRUG CONJUGATES, AND ANTIBODY-DRUG CONJUGATE Otsuka Pharmaceutical Co., Ltd. (JP) 2025-11-26 EP disclosed
WO-2024154763-A1 LINKER FOR ANTIBODY-DRUG CONJUGATES, AND ANTIBODY-DRUG CONJUGATE 大塚製薬株式会社 2024-07-25 WO disclosed
WO-2017031209-A1 TUBULYSIN ANALOGS AND METHODS ENDOCYTE, INC. (US) 2017-02-23 WO disclosed
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 EP disclosed
EP-1414384-A4 SYNTHESIS OF EPOTHILONES AND RELATES ANALOGS UNIV MISSISSIPPI (US) 2005-07-27 EP disclosed
EP-1414384-A2 SYNTHESIS OF EPOTHILONES AND RELATES ANALOGS The University of Mississippi (US) 2004-05-06 EP disclosed
WO-2002081441-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRROLIDINE NEURAMINIDASE INHIBITORS ABBOTT LABORATORIES (US) 2002-10-17 WO disclosed
WO-2002030356-A2 SYNTHESIS OF EPOTHILONES AND RELATES ANALOGS THE UNIVERSITY OF MISSISSIPI (US) 2002-04-18 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 (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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 TSHR 2972/4885RCE1 991/4885IDO1 3042/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 TSHR 3047/4885RCE1 951/4885IDO1 3142/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 TSHR 3028/4885RCE1 1086/4885IDO1 3688/4885

“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.