SCHEMBL21396598

SCHEMBL21396598

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C#N)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2ccc(-n3c4ccccc4c4cccnc43)cc2)c1-n1c2ccc(C)cc2c2cc(C)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 4/20 0.37
PDE1C Q14123 4/20 0.37
PDE9A O76083 3/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE10A Q9Y233 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
PDE5A O76074 3/20 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
SCHEMBL21397113 1.00 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDPDE1CPDE9A
SCHEMBL21378038 0.95 HPGD (0.38) ALDH1A1KDM4EHPGDPDE1CPDE9A
SCHEMBL21396583 0.91 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDPDE1CPDE9A
SCHEMBL21396868 0.91 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDPDE1CPDE9A
SCHEMBL21397144 0.89 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDPDE1CPDE9A
SCHEMBL21397085 0.85 PDE10A (0.35) ALDH1A1KDM4EHPGDPDE1CPDE9A
SCHEMBL21378000 0.85 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDPDE1CPDE9A
SCHEMBL21396902 0.84 PDE9A (0.37) ALDH1A1KDM4EHPGDPDE1CPDE9A
SCHEMBL21378005 0.84 PDE9A (0.37) ALDH1A1KDM4EHPGDPDE1CPDE9A
SCHEMBL21396864 0.84 PTGDR2 (0.33) ALDH1A1KDM4EHPGDPDE1CPDE9A

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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-09-26 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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 ALDH1A1 242/4885KDM4E 4364/4885HPGD 2163/4885

“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.