SCHEMBL25525846

SCHEMBL25525846

COc1ccc(/C(=C(/c2ccc(C)cc2)c2ccc(OC)cc2)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.60
CES1 P23141 2/20 0.60
ACHE P22303 1/20 0.60
NPSR1 Q6W5P4 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
ESR1 P03372 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADRA1A P35348 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NPC1 O15118 2/20 0.50

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
SCHEMBL18972898 1.00 CES2 (0.60) CES2CES1ACHENPSR1SMN1; SMN2
SCHEMBL80442 1.00 CES2 (0.60) CES2CES1ACHENPSR1SMN1; SMN2
SCHEMBL68051 0.92 CES2 (0.69) CES2CES1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL9723456 0.92 CES2 (0.69) CES2CES1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL30741457 0.92 CES2 (0.69) CES2CES1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL68050 0.92 CES2 (0.69) CES2CES1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL12399066 0.92 ACHE (0.71) CES2CES1ACHENPSR1SMN1; SMN2
SCHEMBL14422430 0.86 CES2 (0.52) CES2CES1SMN1; SMN2HTTALDH1A1
SCHEMBL69743 0.85 CES2 (0.65) CES2CES1ACHESMN1; SMN2ALDH1A1
SCHEMBL69744 0.85 CES2 (0.65) CES2CES1ACHESMN1; SMN2ALDH1A1

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-20230165978-A1 Composition and A Method For Diagnosing And Treating Bacterial Infection Hong Kong Centre for Cerebro-Cardiovascular Health Engineering Limited (HK) 2023-06-01 US disclosed
US-20230165978-A1 Composition and A Method For Diagnosing And Treating Bacterial Infection Hong Kong Centre for Cerebro-Cardiovascular Health Engineering Limited (HK) 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-20230165978-A1 Composition and A Method For Diagnosing And Treating Bacterial Infection NOD2, PYCARD, NOD1 CES2 4258/4885CES1 4764/4885ACHE 891/4885

“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.