SCHEMBL1992259

SCHEMBL1992259

C=CC(O)C(C=C)C1=NCCN1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 10/20 0.36
ADRA2C P18825 10/20 0.36
NISCH Q9Y2I1 5/20 0.36
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
ADRA2A P08913 9/20 0.35
HTR1A P08908 2/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL4298623 0.84 NISCH (0.41) ADRA2BADRA2CNISCHMAOAMAOB
Hydrochloric Acid SCHEMBL7135197 0.82 NISCH (0.41) ADRA2BADRA2CNISCHMAOAMAOB
SCHEMBL3264669 0.79
SCHEMBL1326510 0.78 ADRA2B (0.38) ADRA2BADRA2CNISCHMAOAMAOB
SCHEMBL4912194 0.76 ADRA2B (0.43) ADRA2BADRA2CNISCHMAOAMAOB
SCHEMBL11668041 0.72 NOS3 (0.38) ADRA2BADRA2CNISCHADRA2A
SCHEMBL9754198 0.72 ADRA2B (0.38) ADRA2BADRA2CNISCHMAOAMAOB
Sulfuric Acid SCHEMBL18045136 0.71 RAD52 (0.35) ADRA2BADRA2CNISCHMAOAMAOB
SCHEMBL1768228 0.71
SCHEMBL7170244 0.69 ADRA2B (0.35) ADRA2BADRA2CNISCHMAOAMAOB

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-9023785-B2 Gemini surfactants, process of manufacture and use as multifunctional corrosion inhibitors INSTITUTO MEXICANO DEL PETROLEO (MX) 2015-05-05 US disclosed
US-20130340326-A1 Gemini surfactants, process of manufacture and use as multifunctional corrosion inhibitors INSTITUTO MEXICANO DEL PETROLEO (MX) 2013-12-26 US disclosed
US-8518868-B2 Gemini surfactants, process of manufacture and use as multifunctional corrosion inhibitors INSTITUTO MEXICANO DEL PETROLEO (MX) 2013-08-27 US disclosed
US-20110138683-A1 Gemini surfactants, process of manufacture and use as multifunctional corrosion inhibitors INSTITUTO MEXICANO DEL PETROLEO (MX) 2011-06-16 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-20110138683-A1 Gemini surfactants, process of manufacture and use as multifunctional corrosion inhibitors SCO2, F12, GLRB ADRA2B 772/4885ADRA2C 1493/4885NISCH 589/4885

“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.