SCHEMBL6131095

SCHEMBL6131095

C=CCOC(=O)C(O)CCC(C)C.C=CCOC(=O)C(O)CCCCC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
TDP1 Q9NUW8 1/20 0.44
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 1/20 0.42
ABCB1 P08183 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CA1 P00915 2/20 0.35
ZDHHC7 Q9NXF8 1/20 0.35
MAPT P10636 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
FAAH O00519 1/20 0.34
LTA4H P09960 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
SCHEMBL154641 0.92 TSHR (0.54) TSHRTDP1GPR84FFAR1ABCB1
SCHEMBL1871016 0.92 TSHR (0.54) TSHRTDP1GPR84FFAR1ABCB1
SCHEMBL671482 0.91 TSHR (0.57) TSHRTDP1GPR84FFAR1ABCB1
SCHEMBL8771126 0.91 TSHR (0.57) TSHRTDP1GPR84FFAR1ABCB1
SCHEMBL1171468 0.89 TDP1 (0.53) TSHRTDP1ALDH1A1CA1MAPT
SCHEMBL1685294 0.87 TSHR (0.51) TSHRTDP1GPR84FFAR1CA1
Decylacetate SCHEMBL21837279 0.81 TSHR (0.48) TSHRGPR84FFAR1ALDH1A1MAPT
SCHEMBL9323925 0.80 TSHR (0.46) TSHRTDP1GPR84FFAR1ALDH1A1
SCHEMBL5403623 0.79 TSHR (0.49) TSHRGPR84FFAR1ABCB1ZDHHC7
SCHEMBL4957257 0.79 TSHR (0.54) TSHRTDP1FFAR1ABCB1ALDH1A1

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-20050136022-A1 Cyclic siloxane compositions for the release of active ingredients MOMENTIVE PERFORMANCE MATERIALS INC. 2005-06-23 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-20050136022-A1 Cyclic siloxane compositions for the release of active ingredients F9, RPL39, ECPAS TSHR 4528/4885TDP1 3632/4885GPR84 651/4885

“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.