SCHEMBL25535248

SCHEMBL25535248

c1cc(-c2cccc3sc4ccccc4c23)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3ccccc23)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 8/20 0.35
S1PR4 O95977 6/20 0.35
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
ALOX5 P09917 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
GSTP1 P09211 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL23225325 0.97 S1PR5 (0.34) S1PR5S1PR4HSD17B1HSD17B2CA12
SCHEMBL24919218 0.97 S1PR5 (0.37) S1PR5S1PR4HSD17B1HSD17B2ALOX5
SCHEMBL24472162 0.96 S1PR5 (0.35) S1PR5S1PR4ALOX5CA12CA1
SCHEMBL24471998 0.95 S1PR5 (0.34) S1PR5S1PR4
SCHEMBL25536425 0.94 S1PR5 (0.35) S1PR5S1PR4HSD17B1HSD17B2ALOX5
SCHEMBL24472397 0.93 S1PR5 (0.34) S1PR5S1PR4
SCHEMBL24472530 0.93 S1PR5 (0.34) S1PR5S1PR4
SCHEMBL25533894 0.93 S1PR5 (0.38) S1PR5S1PR4ALOX5GSTP1
SCHEMBL25534051 0.93 S1PR5 (0.38) S1PR5S1PR4ALOX5GSTP1
SCHEMBL25137804 0.93 S1PR5 (0.36) S1PR5S1PR4HSD17B1HSD17B2ALOX5

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-20230172058-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-01 US disclosed
US-20230172058-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-01 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-20230172058-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, PIEZO1, ELAVL1 S1PR5 4533/4885S1PR4 3989/4885HSD17B1 2687/4885

“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.