SCHEMBL3463165

SCHEMBL3463165

O=C(O)C(O)C(OCCCO)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
CYP2C9 P11712 1/20 0.34
PDE4A P27815 1/20 0.34
PGD P52209 2/20 0.33
OR51E2 Q9H255 1/20 0.31
CAMK2A Q9UQM7 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
1,4-Butanediol SCHEMBL3743070 0.87 SMN1; SMN2 (0.37) TSHR
SCHEMBL234927 0.87 TSHR (0.39) TSHRCYP2C9PDE4APGDOR51E2
SCHEMBL28101475 0.87 TSHR (0.39) TSHRCYP2C9PDE4APGD
1,4-Butanediol SCHEMBL3736478 0.85 ACHE (0.33) TSHRCYP2C9PGD
Ethylene Glycol SCHEMBL3732641 0.85 ATM (0.37) TSHRPGD
SCHEMBL3728703 0.82 TSHR (0.43) TSHR
SCHEMBL3739748 0.82 TSHR (0.43) TSHR
SCHEMBL2979038 0.82 ATM (0.41) TSHRPGD
Di(Hydroxyethyl)Ether SCHEMBL3742226 0.81 TSHR (0.50) TSHR
Ethylene Glycol SCHEMBL3741933 0.80 PGD (0.35) TSHRCYP2C9PDE4APGD

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-20100130718-A1 Diols and Polyols COGNIS IP MANAGEMENT GMBH (DE) 2010-05-27 US claimed

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-20100130718-A1 Diols and Polyols DECR2, HCAR2, HSD17B12 TSHR 4820/4885CYP2C9 532/4885PDE4A 3315/4885

“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.