SCHEMBL18200488

SCHEMBL18200488

c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc(-c6nc7ccccc7c7c6ccc6ccccc67)cc5)ccc34)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
ADORA2A P29274 4/20 0.35
ADORA1 P30542 2/20 0.35
DHODH Q02127 3/20 0.35
HTR2B P41595 1/20 0.34
HTR5A P47898 1/20 0.34
NUDT1 P36639 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 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
SCHEMBL18200486 0.93 ESR1 (0.44) ESR1ESR2MAPK8MAPK9MAPK10
SCHEMBL18200990 0.93 ESR1 (0.40) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL18201033 0.92 ESR1 (0.42) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL18200538 0.92 ESR1 (0.42) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL18200604 0.92 ESR1 (0.42) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL18200925 0.91 SRC (0.40) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL18200979 0.88 ESR1 (0.42) ESR1ESR2MAPK8MAPK9MAPK10
SCHEMBL12578662 0.88 ESR1 (0.41) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL12578122 0.88 ESR1 (0.41) ESR1ESR2PIK3CDPIK3CAPIK3CB
SCHEMBL18200633 0.88 MAPK8 (0.42) ESR1ESR2MAPK8MAPK9MAPK10

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 1442/4885PIK3CD 4460/4885

“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.