SCHEMBL20596455

SCHEMBL20596455

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(C#N)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-c2ccccc2)c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.39
NRP1 O14786 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KIF11 P52732 1/20 0.36
GRIA4 P48058 11/20 0.36
GRIA2 P42262 8/20 0.36
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
PDE9A O76083 1/20 0.34
PDE1C Q14123 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL20596602 1.00 SERPINE1 (0.39) SERPINE1NRP1KDM4EMAPTNPSR1
SCHEMBL20596563 0.95 SERPINE1 (0.37) SERPINE1NRP1KDM4EMAPTNPSR1
SCHEMBL16127333 0.93 SERPINE1 (0.39) SERPINE1NRP1KDM4EMAPTNPSR1
SCHEMBL16127443 0.93 KIF11 (0.40) SERPINE1NRP1KDM4EMAPTNPSR1
SCHEMBL16127405 0.93 KIF11 (0.40) SERPINE1NRP1KDM4EMAPTNPSR1
SCHEMBL21437177 0.93 SERPINE1 (0.37) SERPINE1NRP1KDM4EMAPTNPSR1
SCHEMBL20596389 0.92 HTR3A (0.38) SERPINE1NRP1KDM4EMAPTNPSR1
SCHEMBL20596470 0.92 HTR3A (0.38) SERPINE1NRP1KDM4EMAPTNPSR1
SCHEMBL20596487 0.91 SERPINE1 (0.37) SERPINE1NRP1KDM4EMAPTNPSR1
SCHEMBL21950680 0.91 NRP1 (0.40) SERPINE1NRP1KDM4EMAPTNPSR1

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-11638390-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-04-25 US disclosed
US-20200119287-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2020-04-16 US disclosed
WO-2018237389-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux Inc. (JP) 2018-12-27 WO 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-20200119287-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, CLTB, CYBA SERPINE1 4579/4885NRP1 992/4885KDM4E 3854/4885
US-11638390-B2 Composition of matter for use in organic light-emitting diodes CRY2, CLTB, CYBA SERPINE1 4579/4885NRP1 992/4885KDM4E 3854/4885

“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.