SCHEMBL10160798

SCHEMBL10160798

C1=CC2CC1CC2c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
KDM1A O60341 4/20 0.35
MAOB P27338 1/20 0.35
PPARG P37231 7/20 0.33
PPARA Q07869 7/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TNF P01375 1/20 0.33
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
PPARD Q03181 1/20 0.32
CYP1A2 P05177 1/20 0.32
MCL1 Q07820 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 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
SCHEMBL10160393 0.86 KDM1A (0.46) KDM1AMAOB
SCHEMBL10160447 0.85 KDM1A (0.45) KDM1AMAOBCYP2C9CYP2C19CYP1A2
SCHEMBL10160410 0.85 KDM1A (0.33) KDM1AMAOB
SCHEMBL10160472 0.83 ALOX5 (0.40) KDM1AMAOB
SCHEMBL12036857 0.80 ALOX5 (0.41)
SCHEMBL12036812 0.80 ALOX5 (0.41)
SCHEMBL7592449 0.79 CA12 (0.51) CA12CA1CA2CA9PPARG
SCHEMBL14490049 0.79 CA12 (0.51) CA12CA1CA2CA9PPARG
SCHEMBL14490039 0.79 CA12 (0.51) CA12CA1CA2CA9PPARG
SCHEMBL10029999 0.79 CA12 (0.51) CA12CA1CA2CA9PPARG

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-20120018710-A1 NOVEL POLYMERIZABLE MONOMER AND POLYMER OF THE POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING THE POLYMER IDEMITSU KOSAN CO., LTD. 2012-01-26 US disclosed
US-20120018710-A1 NOVEL POLYMERIZABLE MONOMER AND POLYMER OF THE POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING THE POLYMER IDEMITSU KOSAN CO., LTD. 2012-01-26 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-20120018710-A1 NOVEL POLYMERIZABLE MONOMER AND POLYMER OF THE POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING THE POLYMER EPB41, EPB41L2, AR CA12 4206/4885CA1 4269/4885CA2 4376/4885

“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.