SCHEMBL1012040

SCHEMBL1012040

CCc1ccc(N2CCN(c3ccc(CC)cc3)C2C(Cl)(Cl)Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 3/20 0.40
MGLL Q99685 2/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TAAR1 Q96RJ0 1/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 4/20 0.35
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
ATM Q13315 2/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 2/20 0.32

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
SCHEMBL11524986 0.94 ALDH1A1 (0.40) KDM4ENPC1RAB9APOLBMGLL
SCHEMBL1011864 0.79 MAPT (0.47) RAB9AMEN1KMT2AGAAALDH1A1
SCHEMBL1012345 0.78 NQO1 (0.45) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL1010938 0.76 LTA4H (0.33) MGLL
SCHEMBL1012105 0.76 HRH3 (0.40) KDM4EPOLBMGLLMEN1KMT2A
SCHEMBL1012009 0.75 MAPT (0.44) KDM4ENPC1RAB9APOLBMEN1
SCHEMBL11530804 0.74 MAPT (0.46) KDM4ENPC1RAB9APOLBMEN1
SCHEMBL14464541 0.72 TP53 (0.38) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL1010081 0.71 ADRB1 (0.43) KDM4EMEN1KMT2AGAAALDH1A1
SCHEMBL11527050 0.70 MAPT (0.40) NPC1RAB9APOLBMEN1KMT2A

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 9 patents. 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
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
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
US-20120241250-A1 Aerial Work Platforms and Aerial Work Platform Assemblies Comprised of Polymerized Cycloolefin Monomers EAKIN GEORGE R (US) 2012-09-27 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 (2 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-20030144437-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor NQO1, NIT2, ALOX5 KDM4E 4592/4885NPC1 812/4885RAB9A 3978/4885
US-20030083445-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor NQO1, NIT2, ALOX5 KDM4E 4592/4885NPC1 812/4885RAB9A 3978/4885

“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.