SCHEMBL18504053

SCHEMBL18504053

c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c4)cc4ccccc34)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
HSD17B1 P14061 2/20 0.37
HSD17B2 P37059 2/20 0.37
DHODH Q02127 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
DHFR P00374 1/20 0.36
ADORA2A P29274 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 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
SCHEMBL18504050 0.97 KDM4E (0.40) IDO1TDO2HSD17B1HSD17B2DHODH
SCHEMBL18504062 0.95 IDO1 (0.37) IDO1TDO2HSD17B1HSD17B2DHODH
SCHEMBL18504048 0.95 KDM4E (0.41) IDO1TDO2HSD17B1HSD17B2DHODH
SCHEMBL18503948 0.92 IDO1 (0.42) IDO1TDO2DHODHADORA3KDM4E
SCHEMBL22057765 0.91 CYP1A1 (0.44) HSD17B1HSD17B2KDM4EALDH1A1HPGD
SCHEMBL18504005 0.91 IDO1 (0.41) IDO1TDO2DHODHADORA3KDM4E
SCHEMBL18503945 0.91 KDM4E (0.44) IDO1TDO2DHODHADORA3KDM4E
SCHEMBL18504079 0.90 CYP11B1 (0.41) IDO1TDO2HSD17B1HSD17B2DHODH
SCHEMBL18503996 0.89 KDM4E (0.42) IDO1TDO2DHODHADORA3KDM4E
SCHEMBL18503942 0.89 KDM4E (0.45) IDO1TDO2DHODHADORA3KDM4E

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 IDO1 794/4885TDO2 507/4885HSD17B1 286/4885
US-20170047529-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRIC DEVICE, AND DISPLAY DEVICE OXER1, OCIAD1, OCIAD2 IDO1 794/4885TDO2 507/4885HSD17B1 286/4885

“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.