SCHEMBL12759453

SCHEMBL12759453

Cc1ccc(-c2noc(CC(C)(C)C)n2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 5/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 10/20 0.46
KDM4E B2RXH2 6/20 0.46
HPGD P15428 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 4/20 0.46
TP53 P04637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
APOBEC3A P31941 2/20 0.44
APOBEC3G Q9HC16 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
GLA P06280 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
TSHR P16473 3/20 0.43

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
SCHEMBL95087 0.83 MAPT (0.49) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL95088 0.82 NOTUM (0.49) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL17482288 0.82 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL97073 0.79 MAPT (0.47) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL97072 0.79 MAPT (0.50) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL12895735 0.78 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL12601899 0.76 NPC1 (0.54) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL8016715 0.74 RAB9A (0.53) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL10202979 0.72 RAB9A (0.57) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL17702003 0.71 NPC1 (0.56) RAB9ASMN1; SMN2NPC1HTTKDM4E

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 RAB9A 2280/4885SMN1; SMN2 3510/4885NPC1 2788/4885
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device ZFR, PORCN, OR10J3 RAB9A 2280/4885SMN1; SMN2 3510/4885NPC1 2788/4885

“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.