Sugi Predict

Sugi Predict / Compounds / SCHEMBL20282452

SCHEMBL20282452

SCHEMBL20282452

N#Cc1ccc2oc3ccc(-c4ccc5oc6ccc(C#N)cc6c5c4)cc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.47
▸ TNKS O95271 1/20 0.45
▸ CYP2A6 P11509 1/20 0.44
▸ NOS3 P29474 1/20 0.43
▸ NOS1 P29475 1/20 0.43
▸ NOS2 P35228 1/20 0.43
▸ MAP4K4 O95819 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HRH3 Q9Y5N1 3/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ CYP17A1 P05093 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ PLA2G2A P14555 1/20 0.36
▸ PLA2G4A P47712 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
SCHEMBL20282639 1.00 PGR (0.47) PGRTNKSCYP2A6NOS3NOS1
SCHEMBL13191964 0.92 PGR (0.56) PGRTNKSCYP2A6NOS3NOS1
SCHEMBL548410 0.92 CYP2A6 (0.50) PGRTNKSCYP2A6NOS3NOS1
SCHEMBL21342518 0.91 TNKS (0.47) PGRTNKSCYP2A6MAP4K4ALDH1A1
SCHEMBL17827373 0.91 TNKS (0.54) PGRTNKSCYP2A6NOS3NOS1
SCHEMBL13191963 0.89 PGR (0.54) PGRTNKSCYP2A6NOS3NOS1
SCHEMBL21395738 0.89 CYP2A6 (0.43) PGRTNKSCYP2A6NOS3NOS1
SCHEMBL13191996 0.89 PGR (0.53) PGRTNKSCYP2A6NOS3NOS1
SCHEMBL21691242 0.88 PGR (0.54) PGRTNKSCYP2A6MAP4K4ALDH1A1
SCHEMBL18286567 0.86 PGR (0.51) PGRTNKSCYP2A6NOS3NOS1

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-11358951-B2 Π(PI)-conjugated compound, organic electroluminescence element material, light-emitting material, light-emitting thin film, organic electroluminescence element, display device, and illumination device MERCK PATENT GMBH (DE) 2022-06-14 — — US disclosed
US-20180170914-A1 II(PI)-CONJUGATED COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, LIGHT-EMITTING MATERIAL, LIGHT-EMITTING THIN FILM, ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE Konica Minolta, Inc. (JP) 2018-06-21 — — 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 (2 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-20180170914-A1 II(PI)-CONJUGATED COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, LIGHT-EMITTING MATERIAL, LIGHT-EMITTING THIN FILM, ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE OCIAD2, ZYX, OCIAD1 PGR 1470/4885TNKS 4771/4885CYP2A6 259/4885
US-11358951-B2 Π(PI)-conjugated compound, organic electroluminescence element material, light-emitting material, light-emitting thin film, organic electroluminescence element, display device, and illumination device ZYX, OCIAD2, DRD1 PGR 856/4885TNKS 4686/4885CYP2A6 258/4885

“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.