SCHEMBL4453933

SCHEMBL4453933

CCCCCCCCCCCCCCCCCC[Si](Cl)(C(C)(C)C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 3/20 0.38
DNM1 Q05193 7/20 0.32
LMNA P02545 2/20 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
EPHX1 P07099 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
SCHEMBL705213 0.87
SCHEMBL703439 0.81
SCHEMBL29000737 0.80 TSHR (0.40) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL2269764 0.78
SCHEMBL7799174 0.78 TSHR (0.38) TSHRTHRBALDH1A1DNM1LMNA
Octane SCHEMBL5665639 0.73 TSHR (0.50) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL132353 0.73 TSHR (0.50) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL2763894 0.73 TSHR (0.50) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL21817819 0.73 TSHR (0.50) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL21817839 0.73 TSHR (0.50) TSHRTHRBALDH1A1DNM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7537703-B2 High-endurance packing material for liquid chromatography DAISO CO., LTD. (JP) 2009-05-26 US disclosed
US-20080249326-A1 High-Endurance Packing Material for Liquid Chromatography DAISO CO., LTD (JP) 2008-10-09 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-20080249326-A1 High-Endurance Packing Material for Liquid Chromatography CCL2, CCR2, CX3CR1 TSHR 4216/4885THRB 4627/4885ALDH1A1 257/4885

“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.