SCHEMBL18503973

SCHEMBL18503973

c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5cccc(-c6cc7ccccc7c(-c7cncc(-c8ccccc8)c7)n6)c5)c4)c3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.42
CYP11B2 P19099 4/20 0.42
CYP19A1 P11511 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CHRNA7 P36544 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
DHODH Q02127 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDR P35968 1/20 0.35
ATM Q13315 1/20 0.35
CYP2C9 P11712 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL18504028 0.98 CYP19A1 (0.44) CYP11B1CYP11B2CYP19A1IDO1TDO2
SCHEMBL18504079 0.93 CYP11B1 (0.41) CYP11B1CYP11B2CYP19A1IDO1TDO2
SCHEMBL18503942 0.89 KDM4E (0.45) IDO1TDO2ADORA3DHODHKDM4E
SCHEMBL18503948 0.89 IDO1 (0.42) IDO1TDO2ADORA3DHODHKDM4E
SCHEMBL18503994 0.87 KDM4E (0.44) CYP19A1IDO1TDO2ADORA3DHODH
SCHEMBL18504005 0.87 IDO1 (0.41) CYP19A1IDO1TDO2ADORA3DHODH
SCHEMBL18503945 0.87 KDM4E (0.44) IDO1TDO2ADORA3DHODHKDM4E
SCHEMBL18504002 0.87 IDO1 (0.41) CYP19A1IDO1TDO2ADORA3DHODH
SCHEMBL18503946 0.87 IDO1 (0.41) CYP19A1IDO1TDO2ADORA3DHODH
SCHEMBL18503996 0.86 KDM4E (0.42) CYP19A1IDO1TDO2ADORA3DHODH

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 1432/4885CYP19A1 450/4885
US-20170047529-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRIC DEVICE, AND DISPLAY DEVICE OXER1, OCIAD1, OCIAD2 CYP11B1 747/4885CYP11B2 1432/4885CYP19A1 450/4885

“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.