SCHEMBL12759587

SCHEMBL12759587

CC(C)c1cn2c3ccccc3c3ccccc3c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
TSHR P16473 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
GPR3 P46089 1/20 0.35
KDM4E B2RXH2 5/20 0.34
LMNA P02545 4/20 0.34
HSD17B10 Q99714 4/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.34
CCR4 P51679 1/20 0.33
ADORA2A P29274 3/20 0.32
ADORA1 P30542 3/20 0.32
ADORA3 P0DMS8 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 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
SCHEMBL861330 0.77 HSD17B10 (0.47) MAPTTSHRTDP1CASP1CASP7
SCHEMBL16328883 0.74 KDM4E (0.35) MAPTTSHRATMGPR3KDM4E
SCHEMBL12759589 0.73 DDB1 (0.41) MAPTTSHRTDP1CASP1CASP7
SCHEMBL9968082 0.73 GPR3 (0.48) MAPTTSHRTDP1CASP1CASP7
SCHEMBL12759590 0.73 MAPT (0.39) MAPTTSHRTDP1CASP1CASP7
SCHEMBL13325840 0.71 ADORA2A (0.53) TSHRKDM4ELMNAHSD17B10ALDH1A1
SCHEMBL12759643 0.71 GPR3 (0.33) MAPTTSHRGPR3KDM4ELMNA
SCHEMBL3356083 0.69 ADORA2A (0.46) KDM4ELMNAALDH1A1POLBADORA2A
SCHEMBL13309569 0.68 CYP1A2 (0.38) MAPTTSHRTDP1KDM4ELMNA
SCHEMBL29929754 0.68 ADORA2A (0.35) MAPTTSHRMAPK1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device UDC IRELAND LTD (IE) 2015-10-29 US disclosed
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device UDC IRELAND LTD (IE) 2015-10-29 US disclosed
US-9062084-B2 Method of forming metal complex compound, and organic electroluminescence device UDC Ireland (IE) 2015-06-23 US disclosed
US-9062084-B2 Method of forming metal complex compound, and organic electroluminescence device UDC Ireland (IE) 2015-06-23 US disclosed
US-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2011-03-03 US disclosed
US-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2011-03-03 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-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE ZFR, PORCN, OR10J3 MAPT 1946/4885TSHR 4047/4885TDP1 4384/4885
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device ZFR, PORCN, OR10J3 MAPT 1946/4885TSHR 4047/4885TDP1 4384/4885

“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.