SCHEMBL3947553

SCHEMBL3947553

NC(=O)COc1ccccc1CC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.63
KDM4E B2RXH2 2/20 0.62
HTT P42858 1/20 0.62
CXCL8 P10145 2/20 0.54
CFD P00746 3/20 0.52
F11 P03951 3/20 0.52
TPSB2 P20231 3/20 0.52
PLG P00747 1/20 0.52
PLAU P00749 1/20 0.52
KLKB1 P03952 1/20 0.52
F7 P08709 1/20 0.52
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
AKR1B1 P15121 1/20 0.50
CHRM1 P11229 1/20 0.48
GLA P06280 1/20 0.47
FABP4 P15090 1/20 0.47
FABP5 Q01469 1/20 0.47
BCL2A1 Q16548 1/20 0.45
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL503961 0.89 L3MBTL1 (0.77) L3MBTL1KDM4ECXCL8CFDF11
SCHEMBL6682898 0.86 L3MBTL1 (0.73) L3MBTL1KDM4EHTTPOLBSMN1; SMN2
SCHEMBL5362778 0.82 HTT (0.71) L3MBTL1KDM4EHTTPOLBSMN1; SMN2
SCHEMBL7903525 0.81 KDM4E (0.61) L3MBTL1KDM4EHTTPOLBSMN1; SMN2
SCHEMBL6975532 0.81 HTT (0.61) L3MBTL1KDM4EHTTCFDF11
SCHEMBL3700349 0.81 CXCL8 (0.57) L3MBTL1KDM4ECXCL8CFDF11
SCHEMBL15060188 0.81 KDM4E (0.61) L3MBTL1KDM4EHTTPOLBSMN1; SMN2
SCHEMBL22209067 0.81 HTT (0.60) L3MBTL1KDM4EHTTSMN1; SMN2HPGD
SCHEMBL11533135 0.81 HPGD (0.58) L3MBTL1KDM4ECXCL8CFDF11
SCHEMBL24725682 0.80 L3MBTL1 (0.65) L3MBTL1KDM4EHTTCXCL8CFD

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-7514425-B2 Short-acting sedative hypnotic agents for anesthesia and sedation THERAVANCE, INC. (US) 2009-04-07 US claimed
US-20060116424-A1 Short-acting sedative hypnotic agents for anesthesia and sedation THERAVANCE BIOPHARMA R&D IP, LLC 2006-06-01 US claimed

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-20060116424-A1 Short-acting sedative hypnotic agents for anesthesia and sedation GABRA5, GABRA6, GABRA2 L3MBTL1 1347/4885KDM4E 1570/4885HTT 1118/4885

“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.