SCHEMBL14101020

SCHEMBL14101020

Cc1ccc(C)c(-c2c(-c3cc(C)ccc3C)c3cc(-c4ccc(C)c5ccccc45)ccc3c3ccc(Oc4cccc5ccccc45)cc23)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MCL1 Q07820 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
IDO1 P14902 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DRD1 P21728 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
F2 P00734 1/20 0.31
PLG P00747 1/20 0.31
PRSS1 P07477 1/20 0.31

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
SCHEMBL14101019 0.95 MCL1 (0.36) GAAALDH1A1MCL1IDO1LMNA
SCHEMBL14101005 0.81 CYP1A2 (0.42) GAAALDH1A1MCL1CYP1A2CYP2A6
SCHEMBL14101009 0.78 PPARG (0.40) GAAALDH1A1MCL1CYP1A2NPSR1
SCHEMBL14101015 0.77 PPARG (0.40) GAAALDH1A1MCL1LMNANPSR1
SCHEMBL14101004 0.74 PPARG (0.42) GAAALDH1A1MCL1CYP1A2LMNA
SCHEMBL14101008 0.72 SIRT2 (0.40) GAAALDH1A1MCL1IDO1LMNA
SCHEMBL14101031 0.71 ALDH1A1 (0.38) GAAALDH1A1CYP1A2CYP2A6LMNA
SCHEMBL13871414 0.69 CYP1A2 (0.49) GAAALDH1A1CYP1A2CYP2A6LMNA
SCHEMBL2354199 0.69 ALDH1A1 (0.62) GAAALDH1A1CYP1A2LMNAHTT
SCHEMBL8737442 0.69 SLC6A4 (0.49) GAAALDH1A1CYP2A6LMNAHTT

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 GAA 1859/4885ALDH1A1 610/4885MCL1 3767/4885

“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.