SCHEMBL16623793

SCHEMBL16623793

c1ccc2cc3c(cc2c1)-c1cc2ccccc2cc1N1c2cc4ccccc4cc2-c2cc4ccccc4cc2C31

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MYC P01106 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
SCHEMBL16623780 0.86 ALDH1A1 (0.38) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL16623781 0.86 CYP1A2 (0.39) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL16623809 0.68 GPR3 (0.44) ALDH1A1HIF1A
SCHEMBL16623803 0.68 GPR3 (0.44) ALDH1A1HIF1A
SCHEMBL17230347 0.67 ALDH1A1 (0.48) ALDH1A1TP53HPGDTSHRMAPK1
Hydrochloric Acid SCHEMBL7931277 0.66 ALDH1A1 (0.39) ALDH1A1TP53HPGDTSHRMAPK1
Hydrochloric Acid SCHEMBL7939258 0.64 ALDH1A1 (0.38) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL12775944 0.64 ALDH1A1 (0.43) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL1811522 0.64 ALDH1A1 (0.67) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL1154675 0.64 ALDH1A1 (0.67) ALDH1A1TP53HPGDTSHRMAPK1

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 4 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-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 (1 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 2463/4885TP53 4246/4885HPGD 3876/4885

“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.