SCHEMBL3096371

SCHEMBL3096371

COc1ccc(C(=O)C(OC(=O)C2CCCN(C(=O)OCc3ccccc3)C2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
POLB P06746 3/20 0.47
NPC1 O15118 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 3/20 0.43
GABRA1 P14867 1/20 0.43

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
SCHEMBL3108038 0.89 CHRM2 (0.54) RAB9APOLBNPC1MAPTMEN1
SCHEMBL3097183 0.86 NPSR1 (0.52) RAB9APOLBNPC1MAPTMEN1
SCHEMBL27763127 0.86 CHRM2 (0.51) RAB9APOLBNPC1MAPTMEN1
SCHEMBL3104965 0.86 NPSR1 (0.52) RAB9APOLBNPC1MAPTMEN1
SCHEMBL3088679 0.85 CHRM2 (0.51) RAB9APOLBNPC1MAPTMEN1
SCHEMBL3105503 0.84 CHRM2 (0.50) RAB9APOLBNPC1MAPTMEN1
SCHEMBL3108227 0.84 CHRM2 (0.49) RAB9APOLBNPC1MAPTMEN1
SCHEMBL3098993 0.83 CHRM2 (0.49) RAB9APOLBNPC1MAPTMEN1
SCHEMBL14067863 0.79 SMN1; SMN2 (0.54) RAB9ANPC1KMT2ABCL9CTNNB1
SCHEMBL6208212 0.79 RAB9A (0.53) RAB9APOLBNPC1MAPTMEN1

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 5 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
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 RAB9A 2013/4885POLB 4859/4885NPC1 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.