SCHEMBL18504082

SCHEMBL18504082

c1ccc(-c2ccnc(-c3nc(-c4cccc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)c4)cc4ccccc34)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GPR55 Q9Y2T6 1/20 0.36
MAPT P10636 2/20 0.35
MKNK1 Q9BUB5 1/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
HTR2B P41595 1/20 0.34
HTR5A P47898 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL18504087 0.95 PIK3CA (0.41) PIK3CAKDM4EMAPTMKNK1HTR2B
SCHEMBL18503982 0.93 TDO2 (0.40) PIK3CAIDO1TDO2KDM4ENPC1
SCHEMBL18504026 0.92 CYP19A1 (0.40) PIK3CAIDO1TDO2KDM4ENPC1
SCHEMBL18503966 0.90 PIK3CA (0.42) PIK3CAIDO1TDO2KDM4ENPC1
SCHEMBL18504024 0.88 PIK3CA (0.41) PIK3CAIDO1TDO2KDM4ENPC1
SCHEMBL18504080 0.87 CYP19A1 (0.38) IDO1TDO2KDM4ERAB9AMAPT
SCHEMBL18504050 0.86 KDM4E (0.40) PIK3CAIDO1TDO2KDM4ERAB9A
SCHEMBL18504053 0.86 IDO1 (0.38) IDO1TDO2KDM4ERAB9AMAPT
SCHEMBL18504062 0.85 IDO1 (0.37) IDO1TDO2KDM4ERAB9AMAPT
SCHEMBL18504048 0.85 KDM4E (0.41) PIK3CAIDO1TDO2KDM4ERAB9A

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 PIK3CA 966/4885IDO1 794/4885TDO2 507/4885
US-20170047529-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRIC DEVICE, AND DISPLAY DEVICE OXER1, OCIAD1, OCIAD2 PIK3CA 966/4885IDO1 794/4885TDO2 507/4885

“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.