SCHEMBL20022101

SCHEMBL20022101

Cc1cccc(-c2cccc(-c3ccc(Oc4ccccc4)cc3)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
FFAR4 Q5NUL3 2/20 0.49
GSTP1 P09211 1/20 0.47
FFAR1 O14842 1/20 0.47
HTT P42858 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ABL1 P00519 1/20 0.46
ABCB1 P08183 1/20 0.46
BCR P11274 1/20 0.46
LTA4H P09960 2/20 0.45
TSHR P16473 2/20 0.44
ACHE P22303 1/20 0.44
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 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
SCHEMBL20022135 1.00 ALDH1A1 (0.53) ALDH1A1PPARGPPARAFFAR4GSTP1
SCHEMBL20022117 0.98 ALDH1A1 (0.51) ALDH1A1PPARGPPARAFFAR4GSTP1
SCHEMBL16361076 0.96 PPARG (0.52) ALDH1A1PPARGPPARAFFAR4GSTP1
SCHEMBL14885946 0.95 ALDH1A1 (0.56) ALDH1A1PPARGPPARAFFAR4GSTP1
Diphenylether SCHEMBL9751631 0.94 ALDH1A1 (0.53) ALDH1A1PPARGPPARAFFAR4HTT
SCHEMBL11344045 0.92 ALDH1A1 (0.55) ALDH1A1PPARGPPARAFFAR4HTT
SCHEMBL5548340 0.91 ALDH1A1 (0.65) ALDH1A1FFAR4GSTP1FFAR1HTT
SCHEMBL20022123 0.91 ALDH1A1 (0.55) ALDH1A1FFAR4GSTP1FFAR1HTT
SCHEMBL20022091 0.91 ALDH1A1 (0.55) ALDH1A1FFAR4GSTP1FFAR1HTT
SCHEMBL20022119 0.89 ALDH1A1 (0.53) ALDH1A1FFAR4GSTP1FFAR1HTT

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 ALDH1A1 2965/4885PPARG 3868/4885PPARA 4265/4885
US-11136341-B2 Polycyclic aromatic compound and light emission layer-forming composition TYR, NOD2, AHR ALDH1A1 2965/4885PPARG 3868/4885PPARA 4265/4885
US-20180094000-A1 POLYCYCLIC AROMATIC COMPOUND AND LIGHT EMISSION LAYER-FORMING COMPOSITION TYR, NOD2, AHR ALDH1A1 2965/4885PPARG 3868/4885PPARA 4265/4885
US-10689402-B2 Polycyclic aromatic compound and light emission layer-forming composition TYR, NOD2, AHR ALDH1A1 2965/4885PPARG 3868/4885PPARA 4265/4885

“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.