SCHEMBL1010855

SCHEMBL1010855

COC1N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 3/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SLC18A3 Q16572 1/20 0.38
CHRNA7 P36544 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
CHRNB2 P17787 1/20 0.36
NFKB1 P19838 1/20 0.36
CHRNA3 P32297 1/20 0.36

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
SCHEMBL2233304 0.84 MAPT (0.41) MAPTTSHRALDH1A1KDM4ENPSR1
SCHEMBL2231802 0.83 MAPT (0.41) MAPTTSHRALDH1A1KDM4ENPSR1
SCHEMBL12254378 0.75 MAPK1 (0.49) MAPTTSHRALDH1A1KDM4ENPSR1
SCHEMBL9668731 0.74 MAPT (0.52) MAPTTSHRALDH1A1KDM4ENPSR1
SCHEMBL27777695 0.72 MAPT (0.41) MAPTTSHRALDH1A1KDM4ENPSR1
SCHEMBL1013096 0.72 CYP2C19 (0.44) MAPTTSHRALDH1A1KDM4ENPSR1
SCHEMBL24435144 0.71 MAPT (0.40) MAPTTSHRALDH1A1KDM4ENPSR1
SCHEMBL4070124 0.71 SLC18A3 (0.40) MAPTTSHRALDH1A1KDM4ENPSR1
SCHEMBL12701192 0.70 MAPK1 (0.42) MAPTTSHRALDH1A1KDM4ENPSR1
SCHEMBL28109114 0.70 MAPT (0.52) MAPTTSHRALDH1A1KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006336-B2 Curable polysiloxane coating composition 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-04-14 US disclosed
EP-2838935-A1 CURABLE POLYSILOXANE COATING COMPOSITION 3M Innovative Properties Company (US) 2015-02-25 EP disclosed
US-20140378608-A1 CURABLE POLYSILOXANE COATING COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY 2014-12-25 US disclosed
WO-2013101477-A1 CURABLE POLYSILOXANE COATING COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-07-04 WO disclosed
US-20130158292-A1 METHOD FOR PRODUCING METHIONINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-20 US disclosed
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-13 US disclosed
US-20130072713-A1 METHOD FOR PRODUCING METHIONINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-21 US disclosed
US-8350051-B2 Process for producing alpha-hydroxyketone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-08 US disclosed
US-20110178309-A1 PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-21 US disclosed
EP-1372844-B1 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INST OF TECHN (US) 2011-01-05 EP disclosed
US-6838489-B2 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor CYMETECH, LLC (US) 2005-01-04 US disclosed
US-20030144437-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor STERLING JA, L.C. 2003-07-31 US disclosed
US-20030083445-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor STERLING JA, L.C. 2003-05-01 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 (6 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-20110178309-A1 PROCESS FOR PRODUCING ALPHA-HYDROXYKETONE COMPOUND BCKDK, PDK4, HK1 MAPT 3174/4885TSHR 3516/4885ALDH1A1 37/4885
US-20130158292-A1 METHOD FOR PRODUCING METHIONINE MTR, MSMO1, MGMT MAPT 3552/4885TSHR 2468/4885ALDH1A1 113/4885
US-20130072713-A1 METHOD FOR PRODUCING METHIONINE MTR, MGMT, BBOX1 MAPT 4015/4885TSHR 2048/4885ALDH1A1 182/4885
US-20030144437-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor NQO1, NIT2, ALOX5 MAPT 4167/4885TSHR 4822/4885ALDH1A1 1236/4885
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER ADH5, ADH1A, ADH1C MAPT 4621/4885TSHR 975/4885ALDH1A1 33/4885
US-20030083445-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor NQO1, NIT2, ALOX5 MAPT 4167/4885TSHR 4822/4885ALDH1A1 1236/4885

“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.