SCHEMBL18594166

SCHEMBL18594166

c1ccc2cc(-n3c4ccccc4c4c5oc6ccccc6c5cc(-c5ccc6sc7ccccc7c6c5)c43)ccc2c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PMM2 O15305 1/20 0.33
MPI P34949 1/20 0.33
PHOSPHO1 Q8TCT1 1/20 0.33
S1PR4 O95977 1/20 0.31
S1PR5 Q9H228 1/20 0.31
ALOX5 P09917 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL18594167 0.93 PMM2 (0.31) PMM2MPIPHOSPHO1S1PR4S1PR5
SCHEMBL19862876 0.90 ALOX5 (0.32) ALOX5
SCHEMBL18594330 0.89 ALDH1A1 (0.34) ALOX5
SCHEMBL18594161 0.88 SIRT2 (0.33) ALOX5NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL19862873 0.88 ALOX5 (0.33) ALOX5NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL19862863 0.85
SCHEMBL18594113 0.85 KDM4E (0.35) ALOX5
SCHEMBL19862883 0.85 KDM4E (0.35) ALOX5
SCHEMBL19862867 0.84 KDM4E (0.32) ALOX5
SCHEMBL19862976 0.84 S1PR4 (0.30) S1PR4S1PR5

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-10230056-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2019-03-12 US disclosed
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-02-15 US disclosed
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-02-15 US disclosed
WO-2017034303-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2017-03-02 WO 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 (2 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-10230056-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, NR2E3 PMM2 4511/4885MPI 3019/4885PHOSPHO1 4730/4885
US-20180047914-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, NR2E3 PMM2 4511/4885MPI 3019/4885PHOSPHO1 4730/4885

“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.