SCHEMBL14101019

SCHEMBL14101019

Cc1ccc(C)c(-c2c(-c3cc(C)ccc3C)c3cc(-c4cccc5ccccc45)ccc3c3ccc(Oc4cccc5ccccc45)cc23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
PPARG P37231 8/20 0.35
PPARA Q07869 8/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARD Q03181 1/20 0.35
TLR8 Q9NR97 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
PRSS1 P07477 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 2/20 0.32
IDO1 P14902 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL14101020 0.95 GAA (0.34) MCL1ALDH1A1GAAF2PLG
SCHEMBL14101009 0.84 PPARG (0.40) MCL1ALDH1A1GAAPPARGPPARA
SCHEMBL14101015 0.83 PPARG (0.40) MCL1ALDH1A1GAAPPARGPPARA
SCHEMBL14101004 0.80 PPARG (0.42) MCL1ALDH1A1GAAPPARGPPARA
SCHEMBL14101005 0.75 CYP1A2 (0.42) MCL1ALDH1A1GAAPPARGPPARA
SCHEMBL13871416 0.74 CYP1A2 (0.41) ALDH1A1GAAMAOAMAOBLMNA
SCHEMBL13871398 0.74 CYP1A2 (0.41) ALDH1A1GAAMAOAMAOBLMNA
SCHEMBL13871417 0.74 CYP1A2 (0.41) ALDH1A1GAAMAOAMAOBLMNA
SCHEMBL13871411 0.74 CYP1A2 (0.41) ALDH1A1GAAMAOAMAOBLMNA
SCHEMBL13871413 0.74 CYP1A2 (0.41) ALDH1A1GAAMAOAMAOBLMNA

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

“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.