SCHEMBL8634565

SCHEMBL8634565

CCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

nearest known ligand 0.94

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.94
MEN1 O00255 4/20 0.81
KMT2A Q03164 4/20 0.81
THRB P10828 1/20 0.81
HTT P42858 1/20 0.81
MAPT P10636 1/20 0.81
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.50
CYP3A4 P08684 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
USP2 O75604 2/20 0.50
CASP1 P29466 1/20 0.50
SLCO1B3 Q9NPD5 1/20 0.50
SLCO1B1 Q9Y6L6 1/20 0.50
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2399423 1.00 TSHR (0.94) TSHRMEN1KMT2ATHRBHTT
SCHEMBL1133431 1.00 TSHR (0.94) TSHRMEN1KMT2ATHRBHTT
SCHEMBL15619 1.00 TSHR (0.94) TSHRMEN1KMT2ATHRBHTT
SCHEMBL11133476 1.00 TSHR (0.94) TSHRMEN1KMT2ATHRBHTT
Butoxyethanol SCHEMBL517874 1.00 TSHR (0.94) TSHRMEN1KMT2ATHRBHTT
SCHEMBL23794957 1.00 TSHR (0.94) TSHRMEN1KMT2ATHRBHTT
SCHEMBL6053799 1.00 TSHR (0.94) TSHRMEN1KMT2ATHRBHTT
SCHEMBL8639434 1.00 TSHR (0.94) TSHRMEN1KMT2ATHRBHTT
Tetraethylene Glycol SCHEMBL8526402 1.00 TSHR (0.94) TSHRMEN1KMT2ATHRBHTT
SCHEMBL15523 1.00 TSHR (0.94) TSHRMEN1KMT2ATHRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3674087-B1 INKJET LIQUID COMPOSITION KAO CORP (JP) 2022-04-20 EP disclosed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 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
US-5738127-A STRIPPING WITH AN AQUEOUS ALKALINE SOLUTION CONTAINING A POLYETHER OR A POLYALKYLENE GLYCOL ETHER STABILIZERS HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
US-4407810-A TREATMENT OF ALLERGIC DISORDERS BASF AKTIENGESELLSCHAFT (DE) 1983-10-04 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 (1 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-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE NQO1, NR5A1, SRD5A1 TSHR 4285/4885MEN1 2133/4885KMT2A 984/4885

“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.