SCHEMBL9936130

SCHEMBL9936130

CCCC[N+]1(CC[N+]2(CCCC)CCCC2)CCCC1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.30

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
SCHEMBL9935050 0.97 CYP1A2 (0.32) TSHRLMNA
SCHEMBL830522 0.97 TSHR (0.33) TSHRLMNATHRB
Iodide SCHEMBL9191457 0.94 TSHR (0.32) TSHRLMNATHRB
SCHEMBL9935609 0.94 TSHR (0.32) TSHRLMNATHRB
SCHEMBL686532 0.94 CYP1A2 (0.33) TSHRLMNATHRB
SCHEMBL829066 0.94 CYP1A2 (0.33) TSHRLMNATHRB
SCHEMBL2285663 0.94 TSHR (0.32) TSHRLMNATHRB
Hydrochloric Acid SCHEMBL29251696 0.94 TSHR (0.32) TSHRLMNATHRB
Bromide SCHEMBL8953725 0.92 CYP1A2 (0.32) TSHRLMNA
SCHEMBL898641 0.92 TSHR (0.35) TSHRLMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546609-B2 Ionic liquid containing allylsulfonate anion WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
EP-2474527-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION Wako Pure Chemical Industries, Ltd. (JP) 2012-07-11 EP disclosed
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-21 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-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION ATXN2L, ARL1, INPPL1 TSHR 2384/4885LMNA 3421/4885THRB 2408/4885

“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.