SCHEMBL21396769

SCHEMBL21396769

CC1(C)c2ccccc2N(c2cc(-n3c4ccccc4c4ccccc43)c(-c3cc(C#N)c(N4c5ccccc5C(C)(C)c5ccccc54)cc3-n3c4ccccc4c4ccccc43)cn2)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.33
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL21397132 0.89 PTGER4 (0.30) PTGER4
SCHEMBL21396753 0.85
SCHEMBL21397046 0.85 PTGER4 (0.32) PTGER4
SCHEMBL21396940 0.84 PTGER4 (0.33) PTGER4
SCHEMBL18411272 0.83 IMPDH2 (0.37) KDM4EALDH1A1MAPTHPGDCASP1
SCHEMBL21396794 0.83 FNTA (0.32) PTGER4ALDH1A1HPGD
SCHEMBL21397057 0.81 PTGER4 (0.37) PTGER4KDM4EALDH1A1MAPTHPGD
SCHEMBL20437396 0.80 PGR (0.38) KDM4EALDH1A1MAPT
SCHEMBL18411418 0.79 NCOA3 (0.38)
SCHEMBL23342726 0.78

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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 PTGER4 2404/4885KDM4E 955/4885ALDH1A1 825/4885

“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.