SCHEMBL1821820

SCHEMBL1821820

C=CCC(CC)(CCCCCCCCCCCCC)OCC

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
SMPD1 P17405 3/20 0.33
ALDH1A1 P00352 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
SCHEMBL1818969 0.84 TSHR (0.39) TSHRSMPD1ALDH1A1
SCHEMBL1818379 0.80 TSHR (0.35) TSHR
SCHEMBL1820280 0.79 TSHR (0.34) TSHR
SCHEMBL16705983 0.78 TSHR (0.42) TSHRSMPD1
SCHEMBL8846370 0.78 TSHR (0.42) TSHRSMPD1
SCHEMBL11761141 0.76 SMPD1 (0.38) TSHRSMPD1ALDH1A1
SCHEMBL27762959 0.76 SMPD1 (0.39) TSHRSMPD1ALDH1A1
SCHEMBL15302198 0.76 TSHR (0.37) TSHRALDH1A1
Bromide SCHEMBL7764541 0.74 SMPD1 (0.39) TSHRSMPD1
SCHEMBL18675764 0.73 TSHR (0.38) TSHRSMPD1

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-8367792-B2 Polysiloxane compound and method of producing the same JNC CORPORATION (JP) 2013-02-05 US disclosed
US-20120208973-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME OOTAKE NOBUMASA (JP) 2012-08-16 US disclosed
US-8173758-B2 Polysiloxane compound and method of producing the same JNC CORPORATION (JP) 2012-05-08 US disclosed
US-20110178313-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME OOTAKE NOBUMASA 2011-07-21 US disclosed
US-7939617-B2 Silsesquioxane derivative; electronic material, optical material, optoelectronic material, paint, and primer. CHISSO CORPORATION (JP) 2011-05-10 US disclosed
US-20080171846-A1 Polysiloxane compound and method of producing the same JNC CORPORATION (JP) 2008-07-17 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-20110178313-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME RPS4X, POLR2A, MSL1 TSHR 1779/4885SMPD1 3431/4885ALDH1A1 2302/4885
US-20120208973-A1 POLYSILOXANE COMPOUND AND METHOD OF PRODUCING THE SAME RPS4X, POLR2A, MSL1 TSHR 1779/4885SMPD1 3431/4885ALDH1A1 2302/4885

“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.