SCHEMBL18200990

SCHEMBL18200990

c1cc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc(-c2nc3ccccc3c3c2ccc2ccccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.40
ESR2 Q92731 4/20 0.40
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA2A P29274 4/20 0.36
ADORA1 P30542 2/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL18200979 0.96 ESR1 (0.42) ESR1ESR2LMNAMAPTHTT
SCHEMBL18200488 0.93 ESR1 (0.38) ESR1ESR2LMNAMAPTHTT
SCHEMBL18200925 0.91 SRC (0.40) ESR1ESR2LMNAMAPTHTT
SCHEMBL18200972 0.90 ESR1 (0.45) ESR1ESR2LMNAMAPTHTT
SCHEMBL18346976 0.90 ESR1 (0.37) ESR1ESR2ADORA2AADORA1HSD17B1
SCHEMBL12578127 0.89 ESR1 (0.42) ESR1ESR2ALDH1A1SMN1; SMN2ADORA2A
SCHEMBL18200486 0.89 ESR1 (0.44) ESR1ESR2LMNAADORA2AADORA1
SCHEMBL18200633 0.88 MAPK8 (0.42) ESR1ESR2LMNAMAPTHTT
SCHEMBL17914772 0.88 ESR1 (0.40) ESR1ESR2LMNAMAPTHTT
SCHEMBL18201248 0.88 MEN1 (0.38) ESR1ESR2LMNAMAPTHTT

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 1442/4885LMNA 3373/4885

“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.