SCHEMBL18201033

SCHEMBL18201033

c1ccc2cc(-c3ccc(-c4nc5ccccc5c5c4ccc4ccccc45)cc3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
ADORA2A P29274 5/20 0.40
ADORA1 P30542 2/20 0.40
DHODH Q02127 2/20 0.39
NUDT1 P36639 1/20 0.39
HTR2B P41595 1/20 0.39
HTR5A P47898 1/20 0.39
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PDE10A Q9Y233 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL18200538 1.00 ESR1 (0.42) ESR1ESR2MAPK8MAPK9MAPK10
SCHEMBL18200604 1.00 ESR1 (0.42) ESR1ESR2MAPK8MAPK9MAPK10
SCHEMBL18200633 0.95 MAPK8 (0.42) ESR1ESR2MAPK8MAPK9MAPK10
SCHEMBL18200364 0.94 KDM4E (0.40) ADORA2ADHODHNUDT1PDE10APIK3CD
SCHEMBL18200519 0.94 KDM4E (0.40) ADORA2ADHODHNUDT1PDE10APIK3CD
SCHEMBL18200645 0.94 MAPK8 (0.43) ESR1ESR2MAPK8MAPK9MAPK10
SCHEMBL18200400 0.93 MAPK8 (0.40) ESR1ESR2MAPK8MAPK9MAPK10
SCHEMBL18200488 0.92 ESR1 (0.38) ESR1ESR2MAPK8MAPK9MAPK10
SCHEMBL18200726 0.92 MEN1 (0.47) MAPK8MAPK9MAPK10ADORA2AADORA1
SCHEMBL17034891 0.91 DHODH (0.39) ADORA2ADHODHNUDT1PDE10APIK3CD

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 ESR1 207/4885ESR2 1442/4885MAPK8 3835/4885

“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.