SCHEMBL8904681

SCHEMBL8904681

CCOC(=O)COC1CCC(N)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.49
ITGB3 P05106 4/20 0.42
ITGA2B P08514 4/20 0.42
KMT2A Q03164 1/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 2/20 0.38
TRPA1 O75762 1/20 0.38
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.34
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8904686 1.00 SMYD3 (0.49) SMYD3ITGB3ITGA2BKMT2AGAA
SCHEMBL23498853 1.00 SMYD3 (0.49) SMYD3ITGB3ITGA2BKMT2AGAA
SCHEMBL14905616 0.89 SMYD3 (0.43) SMYD3ITGB3ITGA2BKMT2AGAA
SCHEMBL8714110 0.85 SMYD3 (0.40) SMYD3ALDH1A1TSHRL3MBTL1
SCHEMBL8714112 0.85 SMYD3 (0.40) SMYD3ALDH1A1TSHRL3MBTL1
SCHEMBL3248583 0.85 KMT2A (0.47) ITGB3ITGA2BKMT2AGAAMGAM
SCHEMBL3248382 0.85 KMT2A (0.51) ITGB3ITGA2BKMT2AGAAMGAM
SCHEMBL3252087 0.83 KMT2A (0.50) ITGB3ITGA2BKMT2AGAAMGAM
SCHEMBL3256401 0.83 KMT2A (0.50) ITGB3ITGA2BKMT2AGAAMGAM
SCHEMBL3251414 0.83 KMT2A (0.50) ITGB3ITGA2BKMT2AGAAMGAM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230107941-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. 2023-04-06 US disclosed
WO-2021119081-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-17 WO disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP 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-20230107941-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP SMYD3 3711/4885ITGB3 1774/4885ITGA2B 708/4885

“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.