SCHEMBL18200466

SCHEMBL18200466

c1ccc2cc(-c3cc(-c4cccc5c4ccc4c(-c6ccc7ccccc7c6)nc6ccccc6c45)cc(-c4ccc5ccccc5c4)n3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
MAOB P27338 1/20 0.39
CYP1A2 P05177 3/20 0.38
CTRC Q99895 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
NFKB1 P19838 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL18200401 0.87 MET (0.40) PIM1MAOBCYP1A2ALDH1A1MAPT
SCHEMBL18346929 0.87 MET (0.40) PIM1CYP1A2ALDH1A1MAPTHPGD
SCHEMBL18201138 0.87 ERN1 (0.36) SMN1; SMN2KDM4EMAPTNFKB1LMNA
SCHEMBL18346937 0.86 ACACA (0.45) CYP1A1CYP1B1CYP1A2CTRCSMN1; SMN2
SCHEMBL18201196 0.84 TOP2A (0.35) MEN1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL18200939 0.84 ESR1 (0.38) PIM1MAOBCYP1A2MEN1KMT2A
SCHEMBL18200584 0.82 NPC1 (0.40) PIM1CYP1A1CYP1B1CYP1A2MEN1
SCHEMBL18200645 0.82 MAPK8 (0.43) CYP1A1CYP1B1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL18200484 0.82 CYP1A1 (0.44) PIM1CYP1A1CYP1B1MAOBCYP1A2
SCHEMBL18200927 0.82 PIM1 (0.37) PIM1CYP1A2MEN1KMT2AALDH1A1

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 PIM1 1038/4885CYP1A1 84/4885CYP1B1 109/4885

“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.