SCHEMBL3145055

SCHEMBL3145055

COc1ccc(NCC(Nc2ccc(OC)cc2)C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
GAA P10253 9/20 0.53
ALDH1A1 P00352 6/20 0.49
MAPK1 P28482 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.43
KCNH3 Q9ULD8 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41

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
SCHEMBL11182249 0.82 MAPT (0.57) MAPTGAAALDH1A1MAPK1MEN1
SCHEMBL16671107 0.80 MAPT (0.63) MAPTGAAALDH1A1MAPK1MEN1
Ammonia Solution, Strong SCHEMBL6698890 0.78 MAPT (0.61) MAPTGAAALDH1A1MAPK1MEN1
SCHEMBL3011500 0.77 MAPT (0.59) MAPTGAAALDH1A1MAPK1MEN1
SCHEMBL28367079 0.77 MAPT (0.61) MAPTGAAALDH1A1MAPK1MEN1
SCHEMBL8085505 0.74 MAPT (0.50) MAPTGAAALDH1A1MAPK1MEN1
SCHEMBL18235938 0.74 GAA (0.67) MAPTGAAALDH1A1MAPK1MEN1
SCHEMBL11528609 0.74 ALDH1A1 (0.56) MAPTGAAALDH1A1MAPK1MEN1
SCHEMBL633443 0.73 ALDH1A1 (0.60) MAPTGAAALDH1A1MAPK1MEN1
SCHEMBL3141547 0.73 ALDH1A1 (0.60) MAPTGAAALDH1A1MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642357-B2 Iridium complexes TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-01-05 US disclosed
US-20090036696-A1 IRIDIUM COMPLEXES TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-02-05 US disclosed
EP-1687250-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS Takasago International Corporation (JP) 2006-08-09 EP disclosed
EP-1685092-A2 ASYMMETRIC REDUCTIVE AMINATION OF KETO ACID DERIVATIVES FOR PRODUCING AMINO ACID DERIVATIVES Takasago International Corporation (JP) 2006-08-02 EP disclosed
WO-2005051882-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-09 WO disclosed
WO-2005028419-A2 ASYMMETRIC REDUCTIVE AMINATION OF KETO ACID DERIVATIVES FOR PRODUCING AMINO ACID DERIVATIVES TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-03-31 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-20090036696-A1 IRIDIUM COMPLEXES HAX1, MLX, H1-0 MAPT 4800/4885GAA 2381/4885ALDH1A1 1340/4885

“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.