SCHEMBL17034945

SCHEMBL17034945

c1ccc(-c2ccc3c(c2)nc(-c2cccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c2)c2ccc4ccccc4c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.41
DHFR P00374 1/20 0.41
MAPT P10636 7/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 6/20 0.41
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
LMNA P02545 4/20 0.40
NTSR1 P30989 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
RAB9A P51151 1/20 0.37
GLA P06280 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL18201133 0.96 PTGES (0.42) PTGESDHFRMAPTALDH1A1HPGD
SCHEMBL18200350 0.96 PTGES (0.42) PTGESDHFRMAPTALDH1A1HPGD
SCHEMBL18200349 0.96 PTGES (0.42) PTGESDHFRMAPTALDH1A1HPGD
SCHEMBL18201130 0.95 ALDH1A1 (0.43) PTGESMAPTALDH1A1HPGDKDM4E
SCHEMBL18200564 0.95 PTGES (0.43) PTGESMAPTALDH1A1HPGDKDM4E
SCHEMBL18200562 0.95 PTGES (0.43) PTGESMAPTALDH1A1HPGDKDM4E
SCHEMBL18200587 0.94 ALDH1A1 (0.43) PTGESMAPTALDH1A1HPGDKDM4E
SCHEMBL18201062 0.94 MAPT (0.42) PTGESMAPTALDH1A1HPGDKDM4E
SCHEMBL18200397 0.94 ALDH1A1 (0.43) PTGESMAPTALDH1A1HPGDKDM4E
SCHEMBL18201211 0.94 ALDH1A1 (0.43) PTGESMAPTALDH1A1HPGDKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9871208-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 US disclosed
US-9871208-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 US disclosed
US-20150243895-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 US disclosed
US-20150243895-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 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-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 PTGES 1260/4885DHFR 2560/4885MAPT 1406/4885

“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.