SCHEMBL21758477

SCHEMBL21758477

Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccncc2-c2ccc(C#N)cc2-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.38
CYP11B2 P19099 5/20 0.38
CYP11B1 P15538 3/20 0.38
MAPK14 Q16539 1/20 0.37
FLT3 P36888 3/20 0.37
CYP17A1 P05093 2/20 0.35
ELANE P08246 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NEK1 Q96PY6 1/20 0.33
PIP4K2A P48426 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 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
SCHEMBL21758497 0.94 CYP11B2 (0.39) PTGER4CYP11B2CYP11B1MAPK14FLT3
SCHEMBL21758552 0.93 CYP11B2 (0.39) PTGER4CYP11B2CYP11B1FLT3CYP17A1
SCHEMBL21758485 0.92 CYP11B2 (0.39) PTGER4CYP11B2CYP11B1FLT3CYP17A1
SCHEMBL21758487 0.92 NEK1 (0.39) PTGER4CYP11B2CYP11B1FLT3CYP17A1
SCHEMBL21758708 0.91 CYP11B2 (0.39) PTGER4CYP11B2CYP11B1FLT3CYP17A1
SCHEMBL21758488 0.90 CYP11B2 (0.39) PTGER4CYP11B2CYP11B1FLT3CYP17A1
SCHEMBL21758159 0.90 CYP11B2 (0.37) PTGER4CYP11B2CYP11B1FLT3ELANE
SCHEMBL21758560 0.90 CYP11B2 (0.44) PTGER4CYP11B2CYP11B1FLT3CYP17A1
SCHEMBL23368259 0.90 PTGER4 (0.39) PTGER4CYP11B2CYP11B1MAPK14FLT3
SCHEMBL21758561 0.89 CYP11B2 (0.43) PTGER4CYP11B2CYP11B1FLT3CYP17A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-27 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 (1 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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 PTGER4 1728/4885CYP11B2 1243/4885CYP11B1 1224/4885

“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.