SCHEMBL18962249

SCHEMBL18962249

C=N/C(=C\C=C/C)c1cc(-c2ccc(-n3c4ccccc4c4c(-c5ccc6c7cccnc7n(-c7ccccc7)c6c5)cccc43)cc2)cc(-c2ccccn2)c1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AKR1C4 P17516 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ AKR1C1 Q04828 1/20 0.31
▸ AKT1 P31749 1/20 0.30
▸ AKT2 P31751 1/20 0.30
▸ AKT3 Q9Y243 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
SCHEMBL23774287 0.86 ALDH1A1 (0.31) —
SCHEMBL18958562 0.86 ALDH1A1 (0.36) AKT1AKT2AKT3
SCHEMBL18958542 0.86 ALDH1A1 (0.36) AKT1AKT2AKT3
SCHEMBL23774088 0.85 GRM5 (0.31) —
SCHEMBL23083163 0.83 ALDH1A1 (0.30) —
SCHEMBL18958532 0.82 ALDH1A1 (0.36) AKT1
SCHEMBL18958550 0.82 ALDH1A1 (0.36) AKT1
SCHEMBL18958557 0.81 ALDH1A1 (0.37) AKT1
SCHEMBL18958538 0.81 ALDH1A1 (0.37) AKT1
SCHEMBL23774097 0.81 NPY5R (0.32) —

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-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD (KR) 2017-06-15 — — 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-20170170407-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF OR10J3, OR51E2, ETV6 AKR1C4 3736/4885AKR1C3 4407/4885AKR1C2 3968/4885

“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.

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