SCHEMBL20022111

SCHEMBL20022111

Cc1cccc(-c2cc(-c3ccccc3C(F)(F)F)cc(-c3ccccc3C(F)(F)F)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.51
SCN9A Q15858 5/20 0.49
PDK2 Q15119 1/20 0.48
HSD11B1 P28845 5/20 0.46
TRPA1 O75762 2/20 0.46
PTPN5 P54829 1/20 0.45
ENPP1 P22413 1/20 0.43
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL20022145 0.95 SCN9A (0.54) ARSCN9APDK2HSD11B1TRPA1
SCHEMBL20022130 0.95 SCN9A (0.54) ARSCN9APDK2HSD11B1TRPA1
SCHEMBL5540262 0.91 SCN9A (0.53) ARSCN9APDK2HSD11B1TRPA1
SCHEMBL30146607 0.80 SCN9A (0.59) ARSCN9AHSD11B1TRPA1CYP1A2
SCHEMBL27638539 0.80 AR (0.59) ARPDK2HSD11B1PTPN5
SCHEMBL13630112 0.78 TRPA1 (0.47) ARSCN9AHSD11B1TRPA1CYP1A2
SCHEMBL20022120 0.77 MAPK14 (0.47) PDK2PTPN5TSHRALDH1A1
SCHEMBL5114438 0.77 AR (0.51) ARSCN9APDK2HSD11B1TRPA1
SCHEMBL6254521 0.77 AR (0.43) ARSCN9APDK2HSD11B1TRPA1
SCHEMBL27874356 0.77 PDK2 (0.48) ARSCN9APDK2TRPA1PTPN5

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 AR 1475/4885SCN9A 2866/4885PDK2 4751/4885
US-11136341-B2 Polycyclic aromatic compound and light emission layer-forming composition TYR, NOD2, AHR AR 1475/4885SCN9A 2866/4885PDK2 4751/4885
US-20180094000-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION TYR, NOD2, AHR AR 1475/4885SCN9A 2866/4885PDK2 4751/4885
US-10689402-B2 Polycyclic aromatic compound and light emission layer-forming composition TYR, NOD2, AHR AR 1475/4885SCN9A 2866/4885PDK2 4751/4885

“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.