SCHEMBL11043940

SCHEMBL11043940

C=CCN(CC=C)CCCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
DNM1 Q05193 3/20 0.44
ALDH1A1 P00352 1/20 0.40
KCNH2 Q12809 6/20 0.39
FAAH O00519 1/20 0.38
THRB P10828 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35

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
SCHEMBL9807763 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL6257271 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL4366918 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL3237794 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL9807794 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL10071610 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL4755851 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL9567939 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
SCHEMBL7167469 1.00 TSHR (0.48) TSHRDNM1ALDH1A1KCNH2FAAH
Hydrochloric Acid SCHEMBL5267014 0.98 DNM1 (0.46) TSHRDNM1ALDH1A1KCNH2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100233575-A1 QUATERNARY AMMONIUM COMPOUNDS AND THEIR USES IONIC POLYMER SOLUTIONS LIMITED (GB) 2010-09-16 US disclosed
US-20090202836-A1 METHODS OF FORMING A BARRIER NOVEL POLYMER SOLUTIONS LTD. 2009-08-13 US disclosed
US-20080199755-A1 CONDUCTIVE POLYMERS IONIC POLYMER SOLUTIONS LIMITED (GB) 2008-08-21 US disclosed
US-4543411-A RUTHENIUM CONTAINING CATALYST MIXED WITH PHOSPHONIUM SALT TEXACO INC. (US) 1985-09-24 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-20100233575-A1 QUATERNARY AMMONIUM COMPOUNDS AND THEIR USES KCNJ1, KCNJ11, AQP4 TSHR 3971/4885DNM1 211/4885ALDH1A1 3502/4885

“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.