SCHEMBL14718808

SCHEMBL14718808

CC(C)(C)c1cccc(CC(=O)Cc2cccc(C(C)(C)C)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
ACHE P22303 4/20 0.50
HDAC4 P56524 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
NR1H4 Q96RI1 2/20 0.47
CYP26A1 O43174 2/20 0.45
CYP26B1 Q9NR63 2/20 0.45
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
BCHE P06276 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
VNN1 O95497 1/20 0.43
MAPT P10636 1/20 0.43
CCR9 P51686 1/20 0.43
KCNJ6 P48051 1/20 0.42
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42

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
SCHEMBL13547858 0.87 CYP1A2 (0.53) CYP1A2CYP2C19ACHEHDAC4HDAC2
SCHEMBL892932 0.87 CYP1A2 (0.71) CYP1A2CYP2C19ACHEHDAC4HDAC2
SCHEMBL17022737 0.87 CYP1A2 (0.53) CYP1A2CYP2C19ACHEHDAC8NR1H4
SCHEMBL23979331 0.85 CYP1A2 (0.51) CYP1A2CYP2C19ACHEHDAC4HDAC2
SCHEMBL12993349 0.85 CYP1A2 (0.55) CYP1A2CYP2C19ACHEHDAC4HDAC2
SCHEMBL10389717 0.84 CYP1A2 (0.54) CYP1A2CYP2C19ACHEHDAC4HDAC2
SCHEMBL12992995 0.82 SLC7A5 (0.52) CYP1A2CYP2C19ACHEHDAC4HDAC2
SCHEMBL34460099 0.82 SLC7A5 (0.52) CYP1A2CYP2C19ACHEHDAC4HDAC2
SCHEMBL12993365 0.82 MEN1 (0.49) CYP1A2CYP2C19ACHEHDAC4HDAC2
SCHEMBL12993384 0.82 CYP1A2 (0.49) CYP1A2CYP2C19ACHEHDAC4HDAC2

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-8829502-B2 Condensed polycyclic compound and organic light emitting element including the same CANON KABUSHIKI KAISHA (JP) 2014-09-09 US disclosed
US-20130048965-A1 CONDENSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-28 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-20130048965-A1 CONDENSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME CCNE2, NFE2L2, CRY2 CYP1A2 812/4885CYP2C19 887/4885ACHE 4360/4885

“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.