SCHEMBL25817725

SCHEMBL25817725

c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
GPR3 P46089 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP1A2 P05177 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
SIRT2 Q8IXJ6 4/20 0.36
PIM3 Q86V86 1/20 0.36
S1PR5 Q9H228 3/20 0.36

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
SCHEMBL27252325 0.97 CYP1A2 (0.41) HSD17B1HSD17B2GPR3CYP17A1CYP19A1
SCHEMBL25817921 0.96 PIM3 (0.40) HSD17B1HSD17B2GPR3CYP17A1CYP19A1
SCHEMBL24306957 0.95 HSD17B1 (0.38) HSD17B1HSD17B2GPR3CYP17A1CYP19A1
SCHEMBL15501455 0.94 GPR3 (0.40) HSD17B1HSD17B2GPR3CYP1A2SMN1; SMN2
SCHEMBL23920388 0.94 PIM3 (0.42) HSD17B1HSD17B2GPR3CYP17A1CYP19A1
SCHEMBL15964256 0.94 GPR3 (0.40) HSD17B1HSD17B2GPR3CYP17A1CYP19A1
SCHEMBL23920336 0.94 GPR3 (0.45) GPR3CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL24266849 0.94 GPR3 (0.45) GPR3CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL22161533 0.94 HSD17B1 (0.37) HSD17B1HSD17B2GPR3CYP17A1CYP19A1
SCHEMBL25818441 0.94 HSD17B1 (0.37) HSD17B1HSD17B2GPR3CYP17A1CYP19A1

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 4 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-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
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 HSD17B1 3460/4885HSD17B2 2761/4885GPR3 4847/4885
US-20230225206-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF NFE2L2, ESR1, OR51E2 HSD17B1 3460/4885HSD17B2 2761/4885GPR3 4847/4885

“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.