SCHEMBL18200830

SCHEMBL18200830

O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc(-c3nc4ccccc4c4c3ccc3ccccc34)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.39
ACP3 P15309 1/20 0.36
ADORA2A P29274 1/20 0.35
NUDT1 P36639 1/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NPY1R P25929 1/20 0.35
HTT P42858 1/20 0.35
NPY2R P49146 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE10A Q9Y233 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
PTGES O14684 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL17035055 0.96 DHFR (0.37) DHODHACP3LMNANPC1ALDH1A1
SCHEMBL18200342 0.95 MAPT (0.37) DHODHACP3ADORA2ALMNANPC1
SCHEMBL17034902 0.95 MAPT (0.39) DHODHACP3ADORA2ANUDT1LMNA
SCHEMBL18200831 0.93 MAPT (0.37) DHODHACP3ADORA2ALMNANPC1
SCHEMBL22606548 0.92 MAPT (0.35) DHODHACP3ADORA2ANUDT1LMNA
SCHEMBL17035053 0.91 DHFR (0.39) DHODHACP3ADORA2ANUDT1LMNA
SCHEMBL18200623 0.91 DHODH (0.40) DHODHADORA2ANUDT1LMNAALDH1A1
SCHEMBL17034894 0.91 DHODH (0.40) DHODHADORA2ANUDT1LMNAALDH1A1
SCHEMBL18200622 0.91 DHODH (0.40) DHODHADORA2ANUDT1LMNAALDH1A1
SCHEMBL17035060 0.91 ESR1 (0.34) DHODHACP3LMNANPC1ALDH1A1

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 DHODH 33/4885ACP3 4671/4885ADORA2A 2482/4885

“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.