SCHEMBL20022099

SCHEMBL20022099

Cc1cccc(-c2cccc(-c3cccc(F)c3)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.70
TAAR1 Q96RJ0 3/20 0.52
ESR2 Q92731 1/20 0.52
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TNKS2 Q9H2K2 1/20 0.45
TP53 P04637 1/20 0.45
PTPN5 P54829 1/20 0.43
NR3C1 P04150 1/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
CASP1 P29466 1/20 0.43
CASP3 P42574 1/20 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
SCHEMBL20022107 1.00 ACHE (0.70) ACHETAAR1ESR2MAPTKDM4E
SCHEMBL20022121 0.98 ACHE (0.67) ACHETAAR1ESR2MAPTKDM4E
SCHEMBL6425293 0.98 ACHE (0.73) ACHETAAR1ESR2MAPTKDM4E
SCHEMBL25014730 0.94 ACHE (0.61) ACHETAAR1ESR2MAPTKDM4E
SCHEMBL19301039 0.91 ACHE (0.56) ACHETAAR1ESR2MAPTKDM4E
SCHEMBL20022094 0.89 ACHE (0.54) ACHETAAR1ESR2HPGDNPC1
SCHEMBL20022110 0.89 ACHE (0.54) ACHETAAR1ESR2HPGDNPC1
SCHEMBL20022142 0.89 ACHE (0.54) ACHETAAR1ESR2HPGDNPC1
SCHEMBL12225754 0.86 ACHE (0.56) ACHETAAR1ESR2HPGDNPC1
SCHEMBL29674882 0.86 ACHE (0.56) ACHETAAR1ESR2HPGDNPC1

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-11136341-B2 Polycyclic aromatic compound and light emission layer-forming composition KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2021-10-05 US disclosed
US-10689402-B2 Polycyclic aromatic compound and light emission layer-forming composition JNC CORPORATION (JP) 2020-06-23 US disclosed
US-20200190116-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-06-18 US disclosed
US-20180094000-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2018-04-05 US disclosed
US-20180094000-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2018-04-05 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 (4 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-20200190116-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION TYR, NOD2, AHR ACHE 3716/4885TAAR1 675/4885ESR2 1510/4885
US-11136341-B2 Polycyclic aromatic compound and light emission layer-forming composition TYR, NOD2, AHR ACHE 3716/4885TAAR1 675/4885ESR2 1510/4885
US-20180094000-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION TYR, NOD2, AHR ACHE 3716/4885TAAR1 675/4885ESR2 1510/4885
US-10689402-B2 Polycyclic aromatic compound and light emission layer-forming composition TYR, NOD2, AHR ACHE 3716/4885TAAR1 675/4885ESR2 1510/4885

“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.