SCHEMBL25818561

SCHEMBL25818561

Clc1nc(-c2cccc(-c3ccc4ccc(-c5ccccc5)cc4c3)c2)nc(-c2ccc3c(c2)sc2cccc(-c4ccccc4)c23)n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
F9 P00740 3/20 0.32
PIK3CA P42336 1/20 0.32
PI4KA P42356 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
MCL1 Q07820 1/20 0.31
S1PR5 Q9H228 2/20 0.30
S1PR4 O95977 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
SCHEMBL25817967 0.93 ESR1 (0.35) LIMK1ESR1ESR2F9PIK3CA
SCHEMBL27300641 0.91 LIMK1 (0.36) LIMK1F9
SCHEMBL26271394 0.90 KDM4E (0.36) LIMK1ESR1ESR2F9PIK3CA
SCHEMBL25643867 0.89 F9 (0.37) LIMK1F9MCL1
SCHEMBL26271398 0.89 KDM4E (0.37) LIMK1ESR1ESR2F9PIK3CA
SCHEMBL24523457 0.89 LIMK1 (0.38) LIMK1F9PIK3CAPI4KAPI4KB
SCHEMBL24523647 0.89 LIMK1 (0.38) LIMK1F9PIK3CAPI4KAPI4KB
SCHEMBL24523348 0.89 LIMK1 (0.38) LIMK1F9PIK3CAPI4KAPI4KB
SCHEMBL24523664 0.89 LIMK1 (0.38) LIMK1F9PIK3CAPI4KAPI4KB
SCHEMBL24523521 0.89 LIMK1 (0.38) LIMK1F9PIK3CAPI4KAPI4KB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11917914-B1 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2024-02-27 US disclosed
US-20230225206-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2023-07-13 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 (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-11917914-B1 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof NFE2L2, ESR1, OR51E2 LIMK1 905/4885ESR1 2/4885ESR2 14/4885
US-20230225206-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF NFE2L2, ESR1, OR51E2 LIMK1 905/4885ESR1 2/4885ESR2 14/4885

“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.