SCHEMBL25535659

SCHEMBL25535659

c1cc(-c2ccc3ccccc3c2)cc(N(c2cccc(-c3ccc4c(c3)sc3ccccc34)c2)c2cccc(-c3cccc4oc5ccccc5c34)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 8/20 0.37
S1PR4 O95977 6/20 0.37
HCRTR1 O43613 1/20 0.34
ALOX5 P09917 2/20 0.33
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
PRKDC P78527 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A1 P04798 2/20 0.31
CYP1B1 Q16678 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL25535849 0.97 S1PR5 (0.35) S1PR5S1PR4HCRTR1ALOX5CASP3
SCHEMBL25535159 0.96 S1PR5 (0.34) S1PR5S1PR4HCRTR1CASP3SENP7
SCHEMBL24919182 0.95 S1PR5 (0.33) S1PR5S1PR4HCRTR1CASP3SENP7
SCHEMBL25535123 0.95 S1PR5 (0.33) S1PR5S1PR4HCRTR1CASP3SENP7
SCHEMBL29303523 0.94 S1PR5 (0.35) S1PR5S1PR4HCRTR1ALOX5CASP3
SCHEMBL25535398 0.94 S1PR5 (0.35) S1PR5S1PR4HCRTR1ALOX5CASP3
SCHEMBL24919104 0.94 S1PR5 (0.34) S1PR5S1PR4HCRTR1CASP3SENP7
SCHEMBL25535656 0.94 S1PR5 (0.37) S1PR5S1PR4HCRTR1ALOX5CASP3
SCHEMBL25535494 0.93 ALOX5 (0.33) S1PR5S1PR4HCRTR1ALOX5CASP3
SCHEMBL25535652 0.93 S1PR5 (0.37) S1PR5S1PR4HCRTR1ALOX5CASP3

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-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 3989/4885HCRTR1 3664/4885

“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.