SCHEMBL3099537

SCHEMBL3099537

COc1ccc(C(=O)Cc2ccc(OCCOCc3ccccc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 3/20 0.52
USP2 O75604 1/20 0.51
TP53 P04637 1/20 0.51
PLAU P00749 1/20 0.51
ELANE P08246 1/20 0.51
HTT P42858 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.50
MAOB P27338 2/20 0.49
PLA2G4B P0C869 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
APP P05067 2/20 0.48
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47

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
SCHEMBL17239661 0.92 NR4A1 (0.54) L3MBTL1MAPTMAOBHRH2HRH1
SCHEMBL17239663 0.91 PPARG (0.53) L3MBTL1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL5727403 0.91 NR4A1 (0.53) L3MBTL1MAPTLMNAMAOBHRH2
SCHEMBL6208279 0.89 NPC1 (0.62) L3MBTL1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL7181547 0.88 LMNA (0.51) L3MBTL1RAB9AMAPTLMNAMAOB
SCHEMBL1419819 0.88 L3MBTL1 (0.70) L3MBTL1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL6208174 0.88 L3MBTL1 (0.70) L3MBTL1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL5725683 0.88 L3MBTL1 (0.62) L3MBTL1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL248073 0.84 NPC1 (0.73) L3MBTL1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3105018 0.82 LTA4H (0.52) L3MBTL1RAB9ANPC1SMN1; SMN2MAPT

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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 L3MBTL1 4819/4885RAB9A 2013/4885NPC1 1768/4885

“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.