SCHEMBL26580911

SCHEMBL26580911

c1ccc(-c2ccc(Oc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.54
GSTP1 P09211 1/20 0.43
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
ADORA1 P30542 1/20 0.36
MCL1 Q07820 1/20 0.36
APAF1 O14727 1/20 0.36
NPC1 O15118 1/20 0.36
THRB P10828 1/20 0.36
XBP1 P17861 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
Phosphine SCHEMBL23633149 0.88 PDK2 (0.53) PDK2MAOAMAOBMEN1LMNA
SCHEMBL20220158 0.85 PDK2 (0.43) PDK2GSTP1MAOAMAOBMEN1
SCHEMBL5859662 0.82 PDK2 (0.59) PDK2MAOAMAOBMEN1LMNA
SCHEMBL25685038 0.82 PDK2 (0.59) PDK2MAOAMAOBMEN1LMNA
SCHEMBL4321761 0.82 PDK2 (0.59) PDK2MAOAMAOBMEN1LMNA
SCHEMBL5859559 0.82 PDK2 (0.59) PDK2MAOAMAOBMEN1LMNA
SCHEMBL21882392 0.79 MAPK1 (0.43) PDK2MAOAMAOBMEN1LMNA
SCHEMBL25584086 0.79 PDK2 (0.56) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL22838057 0.79 PDK2 (0.56) PDK2MEN1LMNAMAPTKMT2A
SCHEMBL10054059 0.79 GSTP1 (0.46) PDK2GSTP1MAOAMAOBMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331689-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2023-10-19 US 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-20230331689-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, CYP1A1 PDK2 1458/4885GSTP1 1533/4885MAOA 419/4885

“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.