SCHEMBL18201080

SCHEMBL18201080

c1ccc(-c2cc(-c3cccc(-c4nc5ccccc5c5c4ccc4ccccc45)c3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
ACHE P22303 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
NPY1R P25929 1/20 0.40
HTT P42858 1/20 0.40
NPY2R P49146 1/20 0.40
PTGES O14684 1/20 0.39
PDE10A Q9Y233 1/20 0.38
ADORA2A P29274 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
DHODH Q02127 1/20 0.37
NQO2 P16083 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL18201074 0.97 PTGES (0.43) HPGDKDM4EALDH1A1MAPTACHE
SCHEMBL18346963 0.94 ALDH1A1 (0.54) HPGDKDM4EALDH1A1MAPTACHE
SCHEMBL17034898 0.94 ALDH1A1 (0.54) HPGDKDM4EALDH1A1MAPTACHE
SCHEMBL22606794 0.91 PTGES (0.45) HPGDKDM4EALDH1A1MAPTACHE
SCHEMBL18200524 0.91 HPGD (0.43) HPGDKDM4EALDH1A1MAPTACHE
SCHEMBL18200987 0.90 PTGES (0.45) HPGDKDM4EALDH1A1MAPTACHE
SCHEMBL18200994 0.90 PTGES (0.45) HPGDKDM4EALDH1A1MAPTACHE
SCHEMBL18200636 0.90 MAPT (0.44) HPGDKDM4EALDH1A1MAPTLMNA
SCHEMBL17034913 0.90 MAPT (0.46) HPGDKDM4EALDH1A1MAPTLMNA
SCHEMBL18346964 0.89 CYP19A1 (0.53) HPGDKDM4EALDH1A1MAPTLMNA

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-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 US disclosed
EP-3088392-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2016-11-02 EP 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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 HPGD 421/4885KDM4E 1977/4885ALDH1A1 85/4885

“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.