SCHEMBL1012697

SCHEMBL1012697

COC1N(c2c(C)cc(C)cc2C)CCN1c1c(C)cc(C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH3 Q9Y5N1 3/20 0.32
DRD2 P14416 2/20 0.30
DRD1 P21728 2/20 0.30
KDM4E B2RXH2 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
SCHEMBL2231802 0.87 MAPT (0.41) ALDH1A1NPSR1MAPTHTTSMN1; SMN2
SCHEMBL2233257 0.79 ALDH1A1 (0.32) ALDH1A1NPSR1POLBMAPTHTT
SCHEMBL1012642 0.79 MEN1 (0.34) ALDH1A1NPSR1POLBMAPTHTT
SCHEMBL1010853 0.79 ALDH1A1 (0.32) ALDH1A1NPSR1POLBMAPTHTT
SCHEMBL15069120 0.78 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL10029427 0.77 HRH3 (0.37) ALDH1A1NPSR1POLBMAPTHTT
SCHEMBL2231171 0.77 HRH3 (0.31) ALDH1A1NPSR1POLBMAPTHTT
SCHEMBL14776843 0.77 HRH3 (0.30) HRH3
SCHEMBL21562371 0.75 ALDH1A1 (0.36) ALDH1A1NPSR1POLBMAPTHTT
SCHEMBL14246510 0.75 ALDH1A1 (0.40) ALDH1A1NPSR1POLBMAPTHTT

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1372844-A4 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INST OF TECHN (US) 2005-10-12 EP claimed
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 claimed
EP-1372844-A1 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR California Institute of Technology (US) 2004-01-02 EP claimed
WO-2003097562-A2 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-11-27 WO claimed
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 claimed
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 claimed
WO-2002076613-A1 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2002-10-03 WO claimed
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-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
EP-1372844-A1 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR California Institute of Technology (US) 2004-01-02 EP disclosed
WO-2003097562-A2 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-11-27 WO 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
WO-2002076613-A1 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2002-10-03 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 (4 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-20130158292-A1 METHOD FOR PRODUCING METHIONINE MTR, MSMO1, MGMT ALDH1A1 113/4885NPSR1 4175/4885POLB 214/4885
US-20030144437-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor NQO1, NIT2, ALOX5 ALDH1A1 1236/4885NPSR1 2433/4885POLB 498/4885
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER ADH5, ADH1A, ADH1C ALDH1A1 33/4885NPSR1 1920/4885POLB 2095/4885
US-20030083445-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor NQO1, NIT2, ALOX5 ALDH1A1 1236/4885NPSR1 2433/4885POLB 498/4885

“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.