SCHEMBL4546760

SCHEMBL4546760

CCCC[PH](CCCC)(CCCC)CCCCC[PH](CCC)(CCC)CCC

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 3/20 0.35
DNM1 Q05193 6/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC22A1 O15245 1/20 0.32

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
SCHEMBL1065998 0.97 TSHR (0.47) TSHRTHRBLMNADNM1ALDH1A1
SCHEMBL1064301 0.97 TSHR (0.47) TSHRTHRBLMNADNM1ALDH1A1
SCHEMBL1064173 0.97 TSHR (0.47) TSHRTHRBLMNADNM1ALDH1A1
SCHEMBL3309655 0.97 TSHR (0.47) TSHRTHRBLMNADNM1ALDH1A1
SCHEMBL3309565 0.97 TSHR (0.47) TSHRTHRBLMNADNM1ALDH1A1
SCHEMBL3302601 0.97 TSHR (0.47) TSHRTHRBLMNADNM1ALDH1A1
SCHEMBL4954370 0.97 TSHR (0.47) TSHRTHRBLMNADNM1ALDH1A1
SCHEMBL3303123 0.97 TSHR (0.47) TSHRTHRBLMNADNM1ALDH1A1
SCHEMBL1057338 0.97 TSHR (0.47) TSHRTHRBLMNADNM1ALDH1A1
SCHEMBL1062564 0.97 TSHR (0.47) TSHRTHRBLMNADNM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8956445-B2 High stability diionic liquid salts SIGMA-ALDRICH CO. (US) 2015-02-17 US disclosed
US-8956445-B2 High stability diionic liquid salts SIGMA-ALDRICH CO. (US) 2015-02-17 US disclosed
EP-2682396-A1 High stability diionic liquid salts Sigma-Aldrich Co. (US) 2014-01-08 EP disclosed
US-20120211696-A1 HIGH STABILITY DIIONIC LIQUID SALTS SIGMA-ALDRICH CO. LLC (US) 2012-08-23 US disclosed
US-8168830-B2 use of these novel ionic liquids having bis-cation or bis-anion separated by bridging group as the stationary phase in a gas chromatographic column SIGMA-ALDRICH CO. LLC (US) 2012-05-01 US disclosed
US-20080027231-A1 High stability diionic liquid salts SIGMA-ALDRICH CO. (US) 2008-01-31 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-20080027231-A1 High stability diionic liquid salts H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDHD5, DAD1 TSHR 4801/4885THRB 4836/4885LMNA 739/4885

“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.