SCHEMBL21297424

SCHEMBL21297424

Cn1c(-c2cccc(-c3ccc4c(c3)c3c(c5ccccc54)-c4cc(-c5ccc6c(c5)nc(-c5ccccc5)n6-c5ccccc5)c5ccccc5c4C3(C)C)c2)nc2cc(-c3cc4c(c5ccccc35)C(C)(C)c3c-4c4ccccc4c4ccccc34)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.40
PDE10A Q9Y233 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
SIRT2 Q8IXJ6 2/20 0.37
SIRT1 Q96EB6 2/20 0.37
ALDH1A1 P00352 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
NAMPT P43490 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
GAA P10253 3/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL17862989 0.90 SIRT2 (0.43) PTGER4HDAC1HDAC8HDAC6SIRT2
SCHEMBL17862993 0.88 PDE10A (0.46) PTGER4PDE10AHDAC1HDAC8HDAC6
SCHEMBL17863008 0.85 HDAC1 (0.45) PTGER4HDAC1HDAC8HDAC6SIRT2
SCHEMBL17862947 0.83 SIRT2 (0.41) PTGER4HDAC1HDAC8HDAC6SIRT2
SCHEMBL17862981 0.82 ESR1 (0.44) PTGER4HDAC1HDAC8HDAC6SIRT2
SCHEMBL17863007 0.81 HDAC1 (0.43) PTGER4HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL17862945 0.81 PDE10A (0.43) PTGER4PDE10AHDAC1HDAC8HDAC6
SCHEMBL17862990 0.81 ESR1 (0.49) PTGER4HDAC1HDAC8HDAC6SIRT2
SCHEMBL17863019 0.81 ESR1 (0.44) PTGER4HDAC1HDAC8HDAC6SIRT2
SCHEMBL17862281 0.80 SIRT2 (0.42) PTGER4HDAC1HDAC8HDAC6SIRT2

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-10396288-B2 Organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-08-27 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-10396288-B2 Organic electroluminescent element and electronic device RER1, LEF1, ELP1 PTGER4 2311/4885PDE10A 4361/4885HDAC1 406/4885

“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.