SCHEMBL6743332

SCHEMBL6743332

COc1cccc(C)c1OCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
PTPN1 P18031 1/20 0.51
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.49
CD69 Q07108 2/20 0.49
GLA P06280 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.48
ALDH1A1 P00352 3/20 0.48
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MIF P14174 1/20 0.46

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
SCHEMBL321504 0.90 L3MBTL1 (0.56) POLBSMN1; SMN2PTPN1KMT2ACD69
SCHEMBL6744642 0.90 SMN1; SMN2 (0.70) POLBSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL830740 0.86 KMT2A (0.60) SMN1; SMN2KMT2ALMNAMEN1CD69
SCHEMBL16784835 0.83 SMN1; SMN2 (0.53) POLBSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL31552456 0.83 SMN1; SMN2 (0.71) POLBSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL7389507 0.83 ALDH1A1 (0.50) PTPN1L3MBTL1ALDH1A1
SCHEMBL7824239 0.82 KDM4E (0.60) POLBSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL6745272 0.82 SMN1; SMN2 (0.60) POLBSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL18702949 0.81 SMN1; SMN2 (0.58) POLBSMN1; SMN2KMT2ALMNAMEN1
Bicarbonate SCHEMBL27404233 0.80 CA12 (0.53) POLBSMN1; SMN2PTPN1KMT2ALMNA

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-6696494-B2 HUMAN IMMUNODEFICIENCY VIRUS ENANTA PHARMACEUTICALS, INC. 2004-02-24 US disclosed
US-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease ENANTA PHARMACEUTICALS, INC. 2003-11-06 US disclosed
WO-2003034989-A2 α-HYDROXYARYLBUTANAMINE INHIBITORS OF ASPARTYL PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2003-05-01 WO disclosed
US-5905068-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1999-05-18 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-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease DNPEP, ASPH, CTSC POLB 632/4885SMN1; SMN2 3669/4885PTPN1 4211/4885

“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.