SCHEMBL12148688

SCHEMBL12148688

[C-]#[N+]/C(C#N)=C1/c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2-c2cc3c(cc21)/C(=C(\C#N)[N+]#[C-])c1cc(-c2ccc(C)cc2)ccc1-3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EPAS1 Q99814 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AR P10275 1/20 0.34
MMP12 P39900 1/20 0.33
DHODH Q02127 1/20 0.33
SCN10A Q9Y5Y9 3/20 0.32
CA12 O43570 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
SCHEMBL12114470 1.00 GPR3 (0.36) GPR3MEN1ALDH1A1TP53CYP3A4
SCHEMBL12148695 0.97 GPR3 (0.38) GPR3MEN1ALDH1A1TP53CYP3A4
SCHEMBL13373518 0.94 ALDH1A1 (0.39) GPR3MEN1ALDH1A1TP53CYP3A4
SCHEMBL12148691 0.91 GPR3 (0.33) GPR3MEN1ALDH1A1TP53CYP3A4
SCHEMBL10019275 0.88 GPR3 (0.43) GPR3MEN1ALDH1A1TP53CYP3A4
SCHEMBL12114462 0.85 XDH (0.39) GPR3ARDHODHPDK2
SCHEMBL12148749 0.85 FFAR4 (0.39) GPR3MEN1ALDH1A1TP53CYP3A4
SCHEMBL12148629 0.85 AR (0.39) MAPTARPDK2KIF11
SCHEMBL12114361 0.85 AR (0.39) MAPTARPDK2KIF11
SCHEMBL13373387 0.84 ADORA1 (0.39) ARDHODH

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
US-20160329505-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, INK COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-11-10 US disclosed
US-20160226002-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING THIS MATERIAL, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-08-04 US disclosed
US-20160218299-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-28 US disclosed
US-20160197288-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC DEVICE, AND METHOD FOR PRODUCING COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20150303380-A1 ORGANIC ELECTROLUMINESCENT DEVICE MAGNOLIA BLUE CORPORATION (JP) 2015-10-22 US disclosed
US-20150069351-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MAGNOLIA BLUE CORPORATION (JP) 2015-03-12 US disclosed
US-20140246663-A1 ORGANIC ELECTROLUMINESCENT ELEMENT JDI DESIGN AND DEVELOPMENT G.K. (JP) 2014-09-04 US disclosed
US-8748015-B2 Indenofluorenedione derivative, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2014-06-10 US disclosed
US-20110284827-A1 INDENOFLUORENEDIONE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2011-11-24 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 (5 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-20160197288-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC DEVICE, AND METHOD FOR PRODUCING COMPOUND LEF1, L1CAM, OLA1 GPR3 4794/4885MEN1 1324/4885ALDH1A1 66/4885
US-20160218299-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE EFNA1, L1CAM, LEF1 GPR3 3819/4885MEN1 842/4885ALDH1A1 299/4885
US-20110284827-A1 INDENOFLUORENEDIONE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT HSD17B11, HSD17B2, HSD17B1 GPR3 4614/4885MEN1 1688/4885ALDH1A1 629/4885
US-20160329505-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, INK COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE LEF1, BMI1, L1CAM GPR3 4813/4885MEN1 893/4885ALDH1A1 398/4885
US-20160226002-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING THIS MATERIAL, AND ELECTRONIC DEVICE OR10J3, RER1, L1CAM GPR3 2440/4885MEN1 1180/4885ALDH1A1 1740/4885

“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.