SCHEMBL18503971

SCHEMBL18503971

c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5cccc(-c6cc7ccccc7c(-c7cc(-c8ccccc8)cc(-c8ccccc8)n7)n6)c5)c4)c3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
RAB9A P51151 2/20 0.41
ADORA3 P0DMS8 2/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
ACHE P22303 1/20 0.39
HPGD P15428 3/20 0.38
LMNA P02545 3/20 0.38
DHODH Q02127 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
ADORA1 P30542 2/20 0.37
ADORA2B P29275 1/20 0.37

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
SCHEMBL18504027 1.00 CYP19A1 (0.42) CYP19A1IDO1TDO2MEN1KMT2A
SCHEMBL18504080 0.93 CYP19A1 (0.38) CYP19A1IDO1TDO2MEN1KMT2A
SCHEMBL18503994 0.89 KDM4E (0.44) CYP19A1IDO1TDO2MEN1KMT2A
SCHEMBL18503946 0.89 IDO1 (0.41) CYP19A1IDO1TDO2MEN1KMT2A
SCHEMBL18504002 0.89 IDO1 (0.41) CYP19A1IDO1TDO2MEN1KMT2A
SCHEMBL18504005 0.89 IDO1 (0.41) CYP19A1IDO1TDO2MEN1KMT2A
SCHEMBL18503996 0.87 KDM4E (0.42) CYP19A1IDO1TDO2MEN1KMT2A
SCHEMBL18503942 0.87 KDM4E (0.45) IDO1TDO2MEN1KMT2ARAB9A
SCHEMBL18503948 0.87 IDO1 (0.42) IDO1TDO2MEN1KMT2ARAB9A
SCHEMBL18504026 0.87 CYP19A1 (0.40) CYP19A1IDO1TDO2KMT2ARAB9A

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 CYP19A1 450/4885IDO1 794/4885TDO2 507/4885
US-20170047529-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRIC DEVICE, AND DISPLAY DEVICE OXER1, OCIAD1, OCIAD2 CYP19A1 450/4885IDO1 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.