SCHEMBL18201079

SCHEMBL18201079

c1cc(-c2ccc3ccc4ccccc4c3c2)cc(-c2nc3ccccc3c3c2ccc2ccccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
ADORA2A P29274 4/20 0.40
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PKM P14618 1/20 0.39
GRK6 P43250 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL18200532 0.96 LMNA (0.41) LMNAMAPTALDH1A1HTTNPC1
SCHEMBL18200636 0.93 MAPT (0.44) LMNAMAPTALDH1A1HTTNPC1
SCHEMBL17034913 0.93 MAPT (0.46) LMNAMAPTALDH1A1HTTNPC1
SCHEMBL18200599 0.91 NUDT1 (0.42) LMNAMAPTALDH1A1HTTNPC1
SCHEMBL18200509 0.89 MEN1 (0.47) LMNAMAPTALDH1A1HTTNPC1
SCHEMBL18201075 0.88 ALDH1A1 (0.42) LMNAMAPTALDH1A1HTTNPC1
SCHEMBL18200882 0.87 MEN1 (0.44) LMNAMAPTALDH1A1HTTNPC1
SCHEMBL21537612 0.87 PARP1 (0.35) LMNAMAPTALDH1A1HTTNPC1
SCHEMBL18201248 0.87 MEN1 (0.38) LMNAMAPTALDH1A1HTTNPC1
SCHEMBL18200990 0.87 ESR1 (0.40) LMNAMAPTALDH1A1HTTNPC1

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 LMNA 3373/4885MAPT 1937/4885ALDH1A1 85/4885

“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.