SCHEMBL18200531

SCHEMBL18200531

O=P(c1ccccc1)(c1ccccc1)c1cc(-c2nc3ccccc3c3c2ccc2ccccc23)cc(P(=O)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
CYP2C9 P11712 2/20 0.33
MEN1 O00255 1/20 0.33
MC4R P32245 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DHODH Q02127 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
FYN P06241 1/20 0.33
MAPK3 P27361 1/20 0.33
AHR P35869 1/20 0.33
PAX8 Q06710 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 3/20 0.32

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
SCHEMBL17034902 0.91 MAPT (0.39) MAPTKDM4EALDH1A1HPGDCYP2C9
SCHEMBL18200623 0.89 DHODH (0.40) KDM4EALDH1A1MEN1KMT2ADHODH
SCHEMBL18200622 0.89 DHODH (0.40) KDM4EALDH1A1MEN1KMT2ADHODH
SCHEMBL17034894 0.89 DHODH (0.40) KDM4EALDH1A1MEN1KMT2ADHODH
SCHEMBL18200342 0.89 MAPT (0.37) MAPTKDM4EALDH1A1HPGDDHODH
SCHEMBL18200830 0.89 DHODH (0.39) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL17035028 0.89 DHODH (0.33) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL17034904 0.88 CYP2C9 (0.36) MAPTKDM4EALDH1A1HPGDCYP2C9
SCHEMBL18200831 0.86 MAPT (0.37) MAPTKDM4EALDH1A1HPGDDHODH
SCHEMBL17035052 0.86 CSNK2A2 (0.35) MAPTKDM4EALDH1A1HPGDMEN1

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 MAPT 1937/4885KDM4E 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.