SCHEMBL16623899

SCHEMBL16623899

Nc1ccccc1-c1cccc2c(-c3ccccc3N)cccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.77
L3MBTL1 Q9Y468 2/20 0.77
CYP3A4 P08684 4/20 0.58
HSD17B10 Q99714 3/20 0.58
TSHR P16473 3/20 0.58
HPGD P15428 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
KEAP1 Q14145 2/20 0.55
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
NFE2L2 Q16236 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
ADORA2A P29274 2/20 0.47
KDM4E B2RXH2 2/20 0.46
IDO1 P14902 3/20 0.45
PTPRC P08575 1/20 0.44
NR4A2 P43354 1/20 0.44

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
SCHEMBL56035 0.90 ALDH1A1 (0.65) ALDH1A1L3MBTL1CYP3A4HSD17B10TSHR
SCHEMBL29521589 0.90 ALDH1A1 (0.65) ALDH1A1L3MBTL1CYP3A4HSD17B10TSHR
Hydrochloric Acid SCHEMBL11581872 0.88 ALDH1A1 (0.62) ALDH1A1L3MBTL1CYP3A4HSD17B10TSHR
SCHEMBL4922363 0.88 ALDH1A1 (0.62) ALDH1A1L3MBTL1CYP3A4HSD17B10TSHR
SCHEMBL1718299 0.88 ALDH1A1 (0.62) ALDH1A1L3MBTL1CYP3A4HSD17B10TSHR
SCHEMBL169281 0.87 ALDH1A1 (1.00) ALDH1A1L3MBTL1CYP3A4HSD17B10TSHR
SCHEMBL31607672 0.87 ALDH1A1 (1.00) ALDH1A1L3MBTL1CYP3A4HSD17B10TSHR
SCHEMBL17035155 0.86 ALDH1A1 (0.56) ALDH1A1L3MBTL1CYP3A4HSD17B10TSHR
SCHEMBL19859798 0.85 ALDH1A1 (0.81) ALDH1A1L3MBTL1CYP3A4HSD17B10TSHR
SCHEMBL29370338 0.85 ALDH1A1 (0.81) ALDH1A1L3MBTL1CYP3A4HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2018-02-15 US disclosed
US-9741950-B2 Polycyclic aromatic compound KYOTO UNIVERSITY (JP) 2017-08-22 US disclosed
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND SK MATERIALS JNC CO., LTD. (KR) 2016-02-18 US disclosed
US-9166176-B2 Polycyclic aromatic compound KYOTO UNIVERSITY (JP) 2015-10-20 US disclosed
US-20150097162-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2015-04-09 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-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE L1CAM, VDAC1, VDAC2 ALDH1A1 2463/4885L3MBTL1 950/4885CYP3A4 1901/4885
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND BICRA, PAH, SMARCC2 ALDH1A1 1610/4885L3MBTL1 3328/4885CYP3A4 614/4885

“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.