SCHEMBL3552086

SCHEMBL3552086

OCCOCCOCCOCCOCCOCCOCCOCCOCCOCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
NAAA Q02083 1/20 0.53
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.43
IDO1 P14902 1/20 0.43
LTA4H P09960 1/20 0.42

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
Triethylene Glycol SCHEMBL29103842 1.00 TSHR (0.58) TSHRNAAAKDM4EPOLBMEN1
SCHEMBL24748 1.00 TSHR (0.58) TSHRNAAAKDM4EPOLBMEN1
SCHEMBL607716 1.00 TSHR (0.58) TSHRNAAAKDM4EPOLBMEN1
SCHEMBL16437096 1.00 TSHR (0.58) TSHRNAAAKDM4EPOLBMEN1
SCHEMBL599527 1.00 TSHR (0.58) TSHRNAAAKDM4EPOLBMEN1
SCHEMBL607698 1.00 TSHR (0.58) TSHRNAAAKDM4EPOLBMEN1
SCHEMBL12865302 1.00 TSHR (0.58) TSHRNAAAKDM4EPOLBMEN1
SCHEMBL16437099 1.00 TSHR (0.58) TSHRNAAAKDM4EPOLBMEN1
SCHEMBL606328 1.00 TSHR (0.58) TSHRNAAAKDM4EPOLBMEN1
SCHEMBL851320 1.00 TSHR (0.58) TSHRNAAAKDM4EPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230241242-A1 PREPARATION METHOD FOR ANTIBODY MEDICAMENT CONJUGATE JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2023-08-03 US disclosed
US-20230165969-A1 PHARMACEUTICAL COMPOSITION COMPRISING ANTIBODY DRUG CONJUGATE AND USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2023-06-01 US disclosed
US-20230165969-A1 PHARMACEUTICAL COMPOSITION COMPRISING ANTIBODY DRUG CONJUGATE AND USE THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2023-06-01 US disclosed
EP-4129345-A1 PHARMACEUTICAL COMPOSITION COMPRISING ANTIBODY DRUG CONJUGATE AND USE THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-02-08 EP disclosed
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP disclosed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US disclosed
US-7598421-B2 Materials for the delivery of biologically-active material to cells UCL BIOMEDICA PLC (GB) 2009-10-06 US disclosed
US-7598421-B2 Materials for the delivery of biologically-active material to cells UCL BIOMEDICA PLC (GB) 2009-10-06 US disclosed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US disclosed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 EP disclosed
WO-2005117985-A2 LIPOPOLYPLEX CONSTRUCT WITH AN INTEGRIN BINDING PEPTIDE FOR DELIVERY OF NUCLEIC ACIDS, PEPTIDES OR DRUGS UCL BIOMEDICA PLC (GB) 2005-12-15 WO disclosed
US-20050245446-A1 Materials for the delivery of biologically-active material to cells NANOGENICS LIMITED (GB) 2005-11-03 US 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-20050245446-A1 Materials for the delivery of biologically-active material to cells ITGB1, ITGA2B, ITGB2 TSHR 616/4885NAAA 4315/4885KDM4E 4564/4885
US-20230165969-A1 PHARMACEUTICAL COMPOSITION COMPRISING ANTIBODY DRUG CONJUGATE AND USE THEREOF CFD, DDOST, HEXD TSHR 2692/4885NAAA 3139/4885KDM4E 1344/4885
US-20230241242-A1 PREPARATION METHOD FOR ANTIBODY MEDICAMENT CONJUGATE FCGR1A, FCGR3B, FCGR2A TSHR 904/4885NAAA 801/4885KDM4E 2996/4885
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE NQO1, NR5A1, SRD5A1 TSHR 4285/4885NAAA 1886/4885KDM4E 3057/4885

“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.