SCHEMBL5489541

SCHEMBL5489541

O=C(ON1C(=O)CCC1=O)c1cc(Cl)c2c(c1Cl)C1(OC2=O)c2cc(Cl)c(O)cc2Oc2cc(O)c(Cl)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMAD3 P84022 1/20 0.35
ALDH1A1 P00352 3/20 0.34
THRB P10828 2/20 0.34
RECQL P46063 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HPGD P15428 2/20 0.34
BRCA1 P38398 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 1/20 0.34
GLB1 P16278 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
CTRC Q99895 1/20 0.34
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 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
SCHEMBL29838717 1.00 SMAD3 (0.35) SMAD3ALDH1A1THRBRECQLTDP1
SCHEMBL29838734 1.00 SMAD3 (0.35) SMAD3ALDH1A1THRBRECQLTDP1
SCHEMBL29389278 0.85 THRB (0.41) SMAD3ALDH1A1THRBRECQLTDP1
SCHEMBL4593779 0.85 THRB (0.41) SMAD3ALDH1A1THRBRECQLTDP1
SCHEMBL29461682 0.83 SMAD3 (0.40) SMAD3ALDH1A1THRBRECQLTDP1
SCHEMBL235829 0.83 SMAD3 (0.40) SMAD3ALDH1A1THRBRECQLTDP1
SCHEMBL6843543 0.82 HPGD (0.46) SMAD3ALDH1A1THRBRECQLTDP1
Cyanide SCHEMBL6533545 0.81 SMAD3 (0.38) SMAD3ALDH1A1THRBRECQLTDP1
SCHEMBL126497 0.79 THRB (0.40) SMAD3ALDH1A1THRBRECQLTDP1
SCHEMBL6045753 0.77 ALDH1A1 (0.47) SMAD3ALDH1A1THRBRECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220178934-A1 SIGNALING CONJUGATES AND METHODS OF USE VENTANA MED SYST INC (US) 2022-06-09 US claimed
US-20200333349-A1 SIGNALING CONJUGATES AND METHODS OF USE VENTANA MED SYST INC (US) 2020-10-22 US claimed
US-20200326345-A1 SIGNALING CONJUGATES AND METHODS OF USE VENTANA MED SYST INC (US) 2020-10-15 US claimed
US-20200319193-A1 SIGNALING CONJUGATES AND METHODS OF USE VENTANA MED SYST INC (US) 2020-10-08 US claimed
US-20200249238-A1 SIGNALING CONJUGATES AND METHODS OF USE VENTANA MED SYST INC (US) 2020-08-06 US claimed
US-20190018018-A1 SIGNALING CONJUGATES AND METHODS OF USE VENTANA MED SYST INC (US) 2019-01-17 US claimed
US-20180328932-A1 SIGNALING CONJUGATES AND METHODS OF USE VENTANA MED SYST INC (US) 2018-11-15 US claimed
US-11906523-B2 Signaling conjugates and methods of use VENTANA MEDICAL SYSTEMS, INC. (US) 2024-02-20 US disclosed
WO-2024006052-A1 IMMUNOHISTOCHEMISTRY (IHC) PROTOCOLS AND METHODS FOR DIAGNOSING AND TREATING CANCER AGILENT TECHNOLOGIES, INC. (US) 2024-01-04 WO disclosed
US-20230417752-A1 IMMUNOHISTOCHEMISTRY (IHC) PROTOCOLS AND METHODS FOR DIAGNOSING AND TREATING CANCER AGILENT TECHNOLOGIES, INC. 2023-12-28 US disclosed
US-20230331865-A1 ANTIBODIES FOR USE IN IMMUNOHISTOCHEMISTRY (IHC) PROTOCOLS TO DIAGNOSE CANCER AGILENT TECHNOLOGIES, INC. 2023-10-19 US disclosed
EP-4255932-A1 ANTI-HUMAN CD10 ANTIBODIES FOR USE IN IMMUNOHISTOCHEMISTRY (IHC) PROTOCOLS TO DIAGNOSE CANCER Agilent Technologies, Inc. (US) 2023-10-11 EP disclosed
EP-4204451-A1 ANTIBODIES FOR USE IN IMMUNOHISTOCHEMISTRY (IHC) PROTOCOLS TO DIAGNOSE CANCER Agilent Technologies, Inc. (US) 2023-07-05 EP disclosed
US-20140267672-A1 DIGITALLY ENHANCED MICROSCOPY FOR MULTIPLEXED HISTOLOGY VENTANA MEDICAL SYSTEMS, INC. 2014-09-18 US disclosed
US-20130260379-A1 SIGNALING CONJUGATES AND METHODS OF USE VENTANA MEDICAL SYSTEMS, INC. (US) 2013-10-03 US disclosed
WO-2013148498-A1 SIGNALING CONJUGATES AND METHODS OF USE VENTANA MEDICAL SYSTEMS, INC. (US) 2013-10-03 WO disclosed
US-20070059316-A1 Singlet oxygen photosensitizers activated by target binding enhancing the selectivity of targeted pdt agents LIGHT SCIENCES ONCOLOGY, INC. 2007-03-15 US disclosed
EP-1670512-A2 SINGLET OXYGEN PHOTOSENSITIZERS ACTIVATED BY TARGET BINDING ENHANCING THE SELECTIVITY OF TARGETED PDT AGENTS Light Sciences Corporation (US) 2006-06-21 EP disclosed
US-20060067889-A1 Singlet oxygen photosensitizers activated by target binding enhancing the selectivity of targeted PDT agents LIGHT SCIENCES CORPORATION (US) 2006-03-30 US disclosed
WO-2005030254-A2 CONJUGATES FOR PHOTODYNAMIC THERAPY LIGHT SCIENCES CORPORATION (US) 2005-04-07 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-11906523-B2 Signaling conjugates and methods of use CABLES1, ILK, BCR SMAD3 1210/4885ALDH1A1 1683/4885THRB 308/4885
US-20060067889-A1 Singlet oxygen photosensitizers activated by target binding enhancing the selectivity of targeted PDT agents PPOX, HMBS, ROS1 SMAD3 4639/4885ALDH1A1 1528/4885THRB 3060/4885
US-20070059316-A1 Singlet oxygen photosensitizers activated by target binding enhancing the selectivity of targeted pdt agents PPOX, HMBS, ROS1 SMAD3 4639/4885ALDH1A1 1528/4885THRB 3060/4885

“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.