SCHEMBL18504079

SCHEMBL18504079

c1ccc(-c2cncc(-c3nc(-c4cccc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c4)cc4ccccc34)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.41
CYP11B2 P19099 4/20 0.41
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CYP19A1 P11511 2/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
DHODH Q02127 2/20 0.36
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
CYP17A1 P05093 1/20 0.34
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRNA7 P36544 1/20 0.33

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
SCHEMBL18503973 0.93 CYP11B1 (0.42) CYP11B1CYP11B2MKNK1MKNK2CYP19A1
SCHEMBL18504028 0.92 CYP19A1 (0.44) CYP11B1CYP11B2MKNK1MKNK2CYP19A1
SCHEMBL18504050 0.90 KDM4E (0.40) MKNK1IDO1TDO2DHODHPIK3CD
SCHEMBL18504053 0.90 IDO1 (0.38) IDO1TDO2DHODHHSD17B1HSD17B2
SCHEMBL18504062 0.89 IDO1 (0.37) CYP19A1IDO1TDO2DHODHHSD17B1
SCHEMBL18504048 0.89 KDM4E (0.41) MKNK1IDO1TDO2DHODHPIK3CD
SCHEMBL18504081 0.85 MKNK1 (0.46) CYP11B1MKNK1DHODHPIK3CAHSD17B1
SCHEMBL18503945 0.84 KDM4E (0.44) IDO1TDO2DHODHADORA3
SCHEMBL18504049 0.84 HSD17B1 (0.40) CYP11B1IDO1TDO2PIK3CAHSD17B1
SCHEMBL18504057 0.84 HSD17B1 (0.40) CYP11B1IDO1TDO2HSD17B1HSD17B2

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
US-10446764-B2 Organic compound, composition, organic optoelectric device, and display device SAMSUNG SDI CO., LTD. (KR) 2019-10-15 US disclosed
US-20170047529-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-02-16 US disclosed
US-20170047529-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2017-02-16 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-10446764-B2 Organic compound, composition, organic optoelectric device, and display device OXER1, OCIAD1, OCIAD2 CYP11B1 747/4885CYP11B2 1432/4885MKNK1 2201/4885
US-20170047529-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRIC DEVICE, AND DISPLAY DEVICE OXER1, OCIAD1, OCIAD2 CYP11B1 747/4885CYP11B2 1432/4885MKNK1 2201/4885

“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.