SCHEMBL25535640

SCHEMBL25535640

c1cc(-c2ccc3ccccc3c2)cc(N(c2cccc(-c3cccc4sc5ccccc5c34)c2)c2cccc(-c3cccc4sc5ccccc5c34)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 9/20 0.40
S1PR4 O95977 7/20 0.40
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
ALOX5 P09917 2/20 0.36
GSTP1 P09211 1/20 0.36
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
BRDT Q58F21 1/20 0.32
GPR3 P46089 1/20 0.32
PIM1 P11309 1/20 0.32
GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL27275164 0.98 S1PR5 (0.41) S1PR5S1PR4HSD17B1HSD17B2ALOX5
SCHEMBL25535280 0.98 S1PR5 (0.39) S1PR5S1PR4HSD17B1HSD17B2ALOX5
SCHEMBL24919219 0.98 S1PR5 (0.41) S1PR5S1PR4HSD17B1HSD17B2ALOX5
SCHEMBL25535834 0.96 S1PR5 (0.38) S1PR5S1PR4HSD17B1HSD17B2ALOX5
SCHEMBL25534903 0.96 S1PR5 (0.38) S1PR5S1PR4HSD17B1HSD17B2ALOX5
SCHEMBL25534393 0.96 S1PR5 (0.40) S1PR5S1PR4HSD17B1HSD17B2ALOX5
SCHEMBL23225144 0.95 S1PR5 (0.40) S1PR5S1PR4HSD17B1HSD17B2ALOX5
SCHEMBL25533924 0.95 S1PR5 (0.40) S1PR5S1PR4HSD17B1HSD17B2ALOX5
SCHEMBL24919220 0.95 S1PR5 (0.40) S1PR5S1PR4HSD17B1HSD17B2ALOX5
SCHEMBL25534854 0.95 S1PR5 (0.38) 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 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 3989/4885HSD17B1 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.