SCHEMBL995234

SCHEMBL995234

N#Cc1ccc(-c2cccc(-c3ccc(C#N)cc3)c2-c2ccc(C#N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.46
PTGS1 P23219 1/20 0.44
TSHR P16473 1/20 0.44
CYP11B2 P19099 3/20 0.42
KIF11 P52732 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2A6 P11509 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LAP3 P28838 1/20 0.40
MAOB P27338 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
CA1 P00915 1/20 0.39
ESR2 Q92731 1/20 0.39
AR P10275 1/20 0.39

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
SCHEMBL18411356 0.94 TSHR (0.50) MMP3PTGS1TSHRCYP11B2ALDH1A1
SCHEMBL11557444 0.86 HRH4 (0.44) MMP3PTGS1TSHRCYP11B2KIF11
SCHEMBL26274413 0.84 ABCG2 (0.50) TSHRALDH1A1HRH4
SCHEMBL31463164 0.83 TSHR (0.57) MMP3PTGS1TSHRCYP11B2KIF11
SCHEMBL26592149 0.83 ABCG2 (0.49) CYP11B2
SCHEMBL11618139 0.83 TSHR (0.52) MMP3TSHRCYP11B2KIF11ALDH1A1
SCHEMBL12681320 0.82 LOXL2 (0.46) MMP3PTGS1TSHRCYP11B2KIF11
SCHEMBL28056373 0.82 ALDH1A1 (0.43) TSHRALDH1A1LAP3MAOBAR
SCHEMBL26274420 0.82 EGLN2 (0.43) CYP11B2ALDH1A1CYP2A6HRH4AR
SCHEMBL13192345 0.81 IDO1 (0.39) MMP3TSHRCYP11B2KIF11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456555-A1 METHOD FOR OXIDIZING METHANE Studiengesellschaft Kohle MbH (DE) 2012-05-30 EP claimed
US-20120130071-A1 METHOD FOR OXIDIZING METHANE STUDIENGESELLSCHAFT KOHLE MBH (DE) 2012-05-24 US claimed
WO-2011009429-A1 METHOD FOR OXIDIZING METHANE STUDIENGESELLSCHAFT KOHLE MBH (DE) 2011-01-27 WO claimed
CN-109713327-A A kind of non-precious metal catalyst and preparation method thereof 中国科学院福建物质结构研究所 2019-05-03 CN disclosed
EP-2456555-A1 METHOD FOR OXIDIZING METHANE Studiengesellschaft Kohle MbH (DE) 2012-05-30 EP disclosed
US-20120130071-A1 METHOD FOR OXIDIZING METHANE STUDIENGESELLSCHAFT KOHLE MBH (DE) 2012-05-24 US disclosed
WO-2011009429-A1 METHOD FOR OXIDIZING METHANE STUDIENGESELLSCHAFT KOHLE MBH (DE) 2011-01-27 WO disclosed
US-20100280216-A1 METHOD OF PREPARING ORGANIC POROUS SOLIDS AND SOLIDS OBTAINABLE BY THIS METHOD MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2010-11-04 US disclosed
EP-2014699-B1 Method of preparing organic porous solids and solids obtainable by this method MAX PLANCK GESELLSCHAFT (DE) 2009-09-02 EP disclosed
EP-2014699-A1 Method of preparing organic porous solids and solids obtainable by this method Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2009-01-14 EP disclosed
WO-2008152147-A1 METHOD OF PREPARING ORGANIC POROUS SOLIDS AND SOLIDS OBTAINABLE BY THIS METHOD MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-12-18 WO 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-20120130071-A1 METHOD FOR OXIDIZING METHANE TST, MGMT, PMS2 MMP3 3998/4885PTGS1 1700/4885TSHR 3773/4885

“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.