SCHEMBL17703261

SCHEMBL17703261

CC(C)(O)c1cc(Br)ccc1Oc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
SLC6A4 P31645 6/20 0.41
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
TBXA2R P21731 3/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.37
ICAM1 P05362 2/20 0.36
SELE P16581 2/20 0.36
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
CDC7 O00311 1/20 0.35
DYRK3 O43781 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
FYN P06241 1/20 0.35

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
SCHEMBL23697123 0.83 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3TBXA2RMAPK1
SCHEMBL4820133 0.80 PTGDR2 (0.45) PTGDR2MAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL8510980 0.76 PTGDR2 (0.42) PTGDR2MAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL9860036 0.76 ALDH1A1 (0.45) SLC6A4SLC6A2SLC6A3HRH3MAPK1
SCHEMBL19513726 0.76 NCEH1 (0.42) PTGDR2SLC6A4ALDH1A1TDP1L3MBTL1
SCHEMBL11210251 0.73 SLC6A4 (0.46) SLC6A4MAPTMEN1LMNAHPGD
SCHEMBL29452380 0.73 SLC6A4 (0.46) SLC6A4MAPTMEN1LMNAHPGD
SCHEMBL7847441 0.73 PTGDR2 (0.40) PTGDR2MAPK1ALDH1A1MEN1HPGD
SCHEMBL17703260 0.72 CYP1A2 (0.42) SLC6A4SLC6A2SLC6A3TBXA2RALDH1A1
SCHEMBL7179614 0.72 ALOX15 (0.50) MAPK1ALDH1A1TDP1L3MBTL1MAPT

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-9722187-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-08-01 US disclosed
US-9722187-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-08-01 US disclosed
US-20160118599-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-28 US disclosed
US-20160118599-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-28 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-20160118599-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, AOX1, CYP1A1 PTGDR2 1734/4885SLC6A4 4411/4885SLC6A2 4040/4885

“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.