SCHEMBL13785083

SCHEMBL13785083

c1ccc(-c2cc(-c3cncnc3)cc3c(-c4ccccc4)cc(-c4cncnc4)cc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.61
CYP2A6 P11509 1/20 0.47
CYP11B1 P15538 2/20 0.41
PIM1 P11309 1/20 0.41
CDK8 P49336 2/20 0.39
CCNC P24863 1/20 0.39
CYP19A1 P11511 2/20 0.39
AXL P30530 1/20 0.39
TNIK Q9UKE5 1/20 0.39
TNF P01375 1/20 0.38
METAP2 P50579 4/20 0.38
FTO Q9C0B1 1/20 0.37
BACE1 P56817 1/20 0.37
PIK3CA P42336 1/20 0.37
GRM5 P41594 1/20 0.36
CYP11B2 P19099 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL13811087 0.92 ATM (0.61) ATMCYP2A6CYP11B1PIM1CDK8
SCHEMBL13785074 0.82 CYP2A6 (0.58) CYP2A6CYP11B1CYP19A1AXLTNF
SCHEMBL16648170 0.81 ATM (0.85) ATMCYP2A6CYP11B1PIM1CDK8
SCHEMBL13804244 0.80 ATM (0.40) ATMCYP2A6CYP11B1TNFMETAP2
SCHEMBL9975007 0.79 ATM (0.74) ATMCYP2A6CYP11B1PIM1CYP19A1
SCHEMBL9974964 0.79 ATM (0.74) ATMCYP2A6CYP11B1PIM1CYP19A1
SCHEMBL13785065 0.78 CYP11B1 (0.61) CYP2A6CYP11B1CYP19A1CYP11B2KDM4E
SCHEMBL2118053 0.78 ATM (1.00) ATMCYP2A6CYP11B1PIM1CYP19A1
SCHEMBL17123367 0.78 NOTUM (0.62) PIM1TNFPIK3CAKDM4EMEN1
SCHEMBL24493202 0.77 ATM (0.77) ATMCYP2A6CYP11B1CDK8CCNC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2075306-A2 Organic electroluminescence material and element using the same Yamagata Promotional Organization for Industrial Technology (JP) 2009-07-01 EP disclosed
US-20090160328-A1 ORGANIC ELECTROLUMINESCENCE MATERIAL AND ELEMENT USING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2009-06-25 US disclosed
US-20090160328-A1 ORGANIC ELECTROLUMINESCENCE MATERIAL AND ELEMENT USING THE SAME YAMAGATA PROMOTIONAL ORGANIZATION FOR INDUSTRIAL TECHNOLOGY (JP) 2009-06-25 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-20090160328-A1 ORGANIC ELECTROLUMINESCENCE MATERIAL AND ELEMENT USING THE SAME EPB41, L1CAM, EPB41L2 ATM 3653/4885CYP2A6 2087/4885CYP11B1 1601/4885

“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.