SCHEMBL26997903

SCHEMBL26997903

CC(=O)CCCOCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ PAOX Q6QHF9 1/20 0.37
▸ CES2 O00748 1/20 0.36
▸ PLA2G2C Q5R387 3/20 0.35
▸ SPHK2 Q9NRA0 1/20 0.34
▸ SPHK1 Q9NYA1 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SLC15A2 Q16348 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL26724992 0.94 PAOX (0.40) TSHRALDH1A1TDP1ACHEPAOX
SCHEMBL26724993 0.92 PAOX (0.43) TSHRALDH1A1PAOXCES2PLA2G2C
SCHEMBL8379954 0.86 ALDH1A1 (0.41) TSHRALDH1A1TDP1ACHEPAOX
SCHEMBL6398251 0.83 SPHK2 (0.37) TSHRPLA2G2CSPHK2SPHK1CYP1A2
SCHEMBL23729612 0.82 FAAH (0.43) TSHRPAOX
SCHEMBL26708614 0.82 FAAH (0.43) TSHRPAOX
SCHEMBL1921248 0.81 ALDH1A1 (0.50) TSHRALDH1A1TDP1ACHEPAOX
SCHEMBL17909058 0.79 TSHR (0.46) TSHRALDH1A1TDP1PLA2G2CHSD17B10
SCHEMBL17909259 0.79 TSHR (0.46) TSHRALDH1A1TDP1PLA2G2CHSD17B10
SCHEMBL27559738 0.79 CYP1A2 (0.35) TSHRTDP1PLA2G2CSPHK2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 — — 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-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS TSHR 2355/4885ALDH1A1 4236/4885TDP1 69/4885

“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.

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