SCHEMBL3039752

SCHEMBL3039752

[c]1cccc2c1CCCC=C2

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1311436 0.88
SCHEMBL22091577 0.80
SCHEMBL28039313 0.75
SCHEMBL149854 0.69 TSHR (0.34) ALDH1A1
SCHEMBL452179 0.67 TSHR (0.46) ALDH1A1
SCHEMBL8890 0.64 TSHR (0.48)
SCHEMBL24682 0.64
SCHEMBL9620890 0.64 TSHR (0.38)
SCHEMBL28479766 0.63
SCHEMBL129579 0.63

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-2192122-B1 DITHIOLOPYRROLONE COMPOUNDS, THE PREPARATION AND THE USE THEREOF SHANGHAI INST PHARM INDUSTRY (CN) 2014-01-01 EP disclosed
US-20130005710-A1 AMINOPYRIDINE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-03 US disclosed
EP-2502909-A1 AMINOPYRIDINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-09-26 EP disclosed
US-8258176-B2 Dithiolopyrrolone compounds, the preparation and the use thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2012-09-04 US disclosed
US-20100210856-A1 DITHIOLOPYRROLONE COMPOUNDS, THE PREPARATION AND THE USE THEREOF SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2010-08-19 US disclosed
EP-2192122-A1 DITHIOLOPYRROLONE COMPOUNDS, THE PREPARATION AND THE USE THEREOF Shanghai Institute of Pharmaceutical Industry (CN) 2010-06-02 EP 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 (2 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-20130005710-A1 AMINOPYRIDINE DERIVATIVE DCX, NR0B1, NR4A1 ALDH1A1 274/4885
US-20100210856-A1 DITHIOLOPYRROLONE COMPOUNDS, THE PREPARATION AND THE USE THEREOF THPO, CD47, QDPR ALDH1A1 647/4885

“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.