SCHEMBL14101004

SCHEMBL14101004

c1ccc2c(Oc3ccc4ccc5ccc(-c6cccc7ccccc67)cc5c4c3)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.42
PPARA Q07869 9/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
PPARD Q03181 1/20 0.42
GAA P10253 2/20 0.41
RCE1 Q9Y256 1/20 0.41
MCL1 Q07820 2/20 0.41
ACMSD Q8TDX5 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL14101009 0.88 PPARG (0.40) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL14101015 0.86 PPARG (0.40) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL57214 0.82 MCL1 (0.54) PPARGPPARAGAAMCL1ACMSD
SCHEMBL16890365 0.81 SIRT2 (0.43) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL443820 0.80 GAA (0.61) GAARCE1SIRT2SIRT1SIRT3
SCHEMBL30731587 0.80 GAA (0.61) GAARCE1SIRT2SIRT1SIRT3
SCHEMBL4444811 0.80 ALDH1A1 (0.56) GAAMCL1ACMSDL3MBTL1CYP1A2
SCHEMBL14101019 0.80 MCL1 (0.36) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL28440233 0.79 GAA (0.55) GAARCE1MCL1SIRT2SIRT1
SCHEMBL10931211 0.78 SIRT2 (0.42) GAARCE1MCL1SIRT2SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080166593-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-07-10 US disclosed
US-20080166593-A1 Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2008-07-10 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-20080166593-A1 Organic Electroluminescent Devices OR10J3, DDT, EML4 PPARG 1240/4885PPARA 1349/4885CYP2C9 405/4885

“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.