SCHEMBL2146277

SCHEMBL2146277

COc1cc(N)ccc1C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 1/20 0.52
HTT P42858 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 3/20 0.50
PRKCZ Q05513 1/20 0.49
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HTR4 Q13639 1/20 0.47
CA12 O43570 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
SCHEMBL6160019 0.89 KMT2A (0.52) ALDH1A1KMT2AMEN1POLBTDP1
SCHEMBL571739 0.87 HTT (0.57) ALDH1A1KMT2AMEN1POLBHTT
SCHEMBL15055656 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1POLBHTT
SCHEMBL5196123 0.86 TDP1 (0.56) ALDH1A1KMT2AMEN1POLBHTT
SCHEMBL25910681 0.84 DHODH (0.54) ALDH1A1KMT2AMEN1POLBHTT
SCHEMBL23812434 0.84 ALDH1A1 (0.63) ALDH1A1KMT2APOLBKDM4ENPC1
SCHEMBL26931850 0.83 KMT2A (0.52) ALDH1A1KMT2AMEN1POLBHTT
SCHEMBL23182973 0.83 KMT2A (0.55) ALDH1A1KMT2AMEN1POLBHTT
SCHEMBL17652769 0.83 PRKCZ (0.57) ALDH1A1KMT2AMEN1POLBHTT
SCHEMBL12369122 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190267-A1 PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190267-A1 PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
WO-2011083304-A1 PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2011-07-14 WO 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-20110190267-A1 PRODRUGS OF OPIOIDS AND USES THEREOF OPRK1, OPRL1, OPRM1 ALDH1A1 225/4885KMT2A 1851/4885MEN1 4826/4885

“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.