SCHEMBL2951850

SCHEMBL2951850

CC(C)OCCOCCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
CYP1A2 P05177 1/20 0.37
EPHX2 P34913 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL2944390 1.00 GABRP (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2943325 1.00 GABRP (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17909178 0.88 TSHR (0.46) EPHX2MEN1KMT2AALDH1A1PMP22
SCHEMBL17909318 0.88 TSHR (0.46) EPHX2MEN1KMT2AALDH1A1PMP22
SCHEMBL261295 0.86
Succinic Acid SCHEMBL2962403 0.86 MEN1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
Triethylene Glycol SCHEMBL2961975 0.86 MEN1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL9574632 0.84 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28759324 0.83 CYP1A2 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28499894 0.83 CYP1A2 (0.39) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
EP-1886759-B1 WATER-SOLUBLE PREFLUX AND USE THEREOF SHIKOKU CHEM (JP) 2016-10-05 EP disclosed
US-7754105-B2 Water-soluble preflux and usage of the same SHIKOKU CHEMICALS CORPORATION (JP) 2010-07-13 US disclosed
US-20080318070-A1 Water-Soluble Preflux and Usage of the Same SHIKOKU CHEMICALS CORPORATION (JP) 2008-12-25 US disclosed
EP-1886759-A1 WATER-SOLUBLE PREFLUX AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2008-02-13 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 (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-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS GABRP 1026/4885GABRD 1964/4885GABRA1 1183/4885

“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.