SCHEMBL1301262

SCHEMBL1301262

CCOC(=O)c1cc(OCc2ccc(OC)cc2)c(OC)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
HPGD P15428 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAOB P27338 1/20 0.48
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
SMPD1 P17405 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 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
SCHEMBL12109050 0.91 MAOB (0.48) MAPTALDH1A1SMN1; SMN2HPGDMAOB
SCHEMBL1301678 0.86 MAPT (0.46) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL1301115 0.85 LCK (0.63) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL22208862 0.83 LCK (0.61) MAPTALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL9356533 0.83 MAOB (0.50) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL9356016 0.79 SMN1; SMN2 (0.60) MAPTSMN1; SMN2LMNAHPGDMAOB
SCHEMBL1302187 0.79 MAOB (0.46) MAPTALDH1A1SMN1; SMN2LMNAMAOB
SCHEMBL12968393 0.78 MAOB (0.58) MAPTALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL24057095 0.78 SMPD1 (0.56) SMN1; SMN2LMNAHPGDKMT2AMEN1
SCHEMBL30577381 0.78 SMPD1 (0.56) SMN1; SMN2LMNAHPGDKMT2AMEN1

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-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 US disclosed
EP-2231665-A2 NOVEL COMPOSITIONS AND METHODS OF USE Ardea Biosciences, Inc. (US) 2010-09-29 EP disclosed
WO-2009089263-A2 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-07-16 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 (2 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-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP MAPT 3259/4885ALDH1A1 1976/4885SMN1; SMN2 3583/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP MAPT 3259/4885ALDH1A1 1976/4885SMN1; SMN2 3583/4885

“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.