SCHEMBL16623780

SCHEMBL16623780

c1ccc2c(c1)-c1cc3ccccc3cc1C1c3cc4ccccc4cc3-c3ccccc3N21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TP53 P04637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HIF1A Q16665 1/20 0.38
GPR3 P46089 1/20 0.35
KDM4E B2RXH2 3/20 0.33
GAA P10253 2/20 0.33
POLB P06746 2/20 0.33
JAK2 O60674 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PPIA P62937 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31

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
SCHEMBL16623793 0.86 ALDH1A1 (0.34) ALDH1A1TP53HSD17B10HPGDTSHR
SCHEMBL16623809 0.82 GPR3 (0.44) ALDH1A1HIF1AGPR3KDM4EGAA
SCHEMBL16623702 0.77 GPR3 (0.50) ALDH1A1HIF1AGPR3KDM4EGAA
SCHEMBL16623781 0.77 CYP1A2 (0.39) ALDH1A1TP53HSD17B10HPGDTSHR
SCHEMBL16623803 0.74 GPR3 (0.44) ALDH1A1HIF1AGPR3KDM4EGAA
SCHEMBL16623791 0.71
SCHEMBL16623783 0.71
SCHEMBL16623845 0.70 PTPN1 (0.42) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL16623768 0.69 GPR3 (0.43) ALDH1A1HIF1AGPR3KDM4EGAA
SCHEMBL16623758 0.69 GPR3 (0.43) ALDH1A1HIF1AGPR3KDM4EGAA

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 2463/4885TP53 4246/4885HSD17B10 4406/4885
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND BICRA, PAH, SMARCC2 ALDH1A1 1610/4885TP53 1062/4885HSD17B10 2173/4885

“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.