SCHEMBL18200533

SCHEMBL18200533

c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccnc(-c6nc7ccccc7c7c6ccc6ccccc67)c5)ccc34)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HTR2B P41595 1/20 0.36
HTR5A P47898 1/20 0.36
HPGD P15428 1/20 0.36
MAPK9 P45984 2/20 0.34
MAPK10 P53779 2/20 0.34
MAPK8 P45983 1/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
MAPKAPK2 P49137 1/20 0.33
GSK3B P49841 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 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
SCHEMBL18200909 0.93 ALDH1A1 (0.40) KDM4EALDH1A1MAPTHTR2BHTR5A
SCHEMBL18201051 0.87 KDM4E (0.38) KDM4EALDH1A1MAPTHTR2BHTR5A
SCHEMBL18200488 0.86 ESR1 (0.38) KDM4EMAPTHTR2BHTR5AMAPK9
SCHEMBL18200910 0.86 MAPT (0.44) KDM4EALDH1A1MAPTHPGDMAPK10
SCHEMBL18200808 0.85 ESR1 (0.35) KDM4EALDH1A1MAPTHTR2BHTR5A
SCHEMBL18200712 0.84 ESR1 (0.35) KDM4EALDH1A1MAPTHPGDESR1
SCHEMBL18200990 0.84 ESR1 (0.40) KDM4EALDH1A1MAPTHPGDMAPK9
SCHEMBL18201267 0.83 PIK3CD (0.38) MAPTHTR2BHTR5AESR1ESR2
SCHEMBL18200925 0.82 SRC (0.40) KDM4EALDH1A1MAPTHTR2BHTR5A
SCHEMBL15977625 0.82 CYP1A1 (0.43) KDM4EALDH1A1MAPTHTR2BHTR5A

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 KDM4E 1977/4885ALDH1A1 85/4885MAPT 1937/4885

“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.