SCHEMBL22326559

SCHEMBL22326559

c1ccc(-c2cc(-c3cccc(-c4cccc5c4-c4sc6ccccc6c4C54c5ccccc5-c5ccccc54)c3)cc(-c3ccc4ccccc4c3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 11/20 0.40
S1PR4 O95977 9/20 0.40
ALOX5 P09917 1/20 0.34
GPR84 Q9NQS5 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
GSTP1 P09211 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 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
SCHEMBL20174492 0.88 CYP1A1 (0.40) S1PR5S1PR4ALOX5
SCHEMBL20174497 0.88 CYP1A1 (0.40) S1PR5S1PR4ALOX5
SCHEMBL20174489 0.85 S1PR5 (0.37) S1PR5S1PR4ALOX5CNR1CNR2
SCHEMBL20174470 0.84 MEN1 (0.32)
SCHEMBL20199165 0.83 S1PR5 (0.35) S1PR5S1PR4
SCHEMBL20174491 0.82 S1PR5 (0.37) S1PR5S1PR4ALOX5HSD17B1HSD17B2
SCHEMBL20174514 0.82 ADORA2A (0.30) ALOX5
SCHEMBL20174506 0.82 CYP1A1 (0.37) S1PR5S1PR4
SCHEMBL20174452 0.81 L3MBTL1 (0.34) ALOX5
SCHEMBL22326568 0.81 CYP1A1 (0.36) S1PR5S1PR4

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-10738034-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-08-11 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-10738034-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG S1PR5 3034/4885S1PR4 1783/4885ALOX5 2705/4885

“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.