SCHEMBL21453530

SCHEMBL21453530

c1ccc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2ccc4c(c2)c2ncccc2n4-c2ccccn2)c2ccccc23)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.32
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
THPO P40225 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
SCHEMBL21454039 0.90 PTGDR2 (0.35) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21454041 0.89 ALDH1A1 (0.31) EGLN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL21453529 0.87 CYP1A2 (0.37) EGLN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL21453953 0.86 CYP1A2 (0.40) EGLN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL21008711 0.85 CYP1A2 (0.40) EGLN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL21454040 0.85 CYP1A2 (0.33) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21453369 0.85 HTR7 (0.31)
SCHEMBL21008815 0.85 CYP1A2 (0.33) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21453537 0.84 ALDH1A1 (0.31) EGLN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL21453956 0.81 ALDH1A1 (0.33) EGLN1ALDH1A1CYP1A2CYP3A4CYP2D6

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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-10 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-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, SLCO2A1, SLCO1A2 EGLN1 2396/4885ALDH1A1 569/4885CYP1A2 802/4885

“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.