SCHEMBL12220682

SCHEMBL12220682

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nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 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
SCHEMBL11911610 1.00 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL12442469 1.00 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL12220181 0.77
SCHEMBL11911971 0.77
SCHEMBL15966007 0.77
SCHEMBL1696744 0.74 ALDH1A1 (0.30) ALDH1A1TSHRTDP1
SCHEMBL16326345 0.72
SCHEMBL12220678 0.72 TSHR (0.41) ALDH1A1TSHRTDP1
SCHEMBL13079167 0.72
SCHEMBL16054614 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
US-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2011-08-04 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 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 (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-20090137561-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 ALDH1A1 1149/4885TSHR 740/4885TDP1 4768/4885
US-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS GPR119, GPR55, GPR65 ALDH1A1 1173/4885TSHR 1166/4885TDP1 4818/4885

“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.