SCHEMBL5267016

SCHEMBL5267016

COc1ccccc1C(C)NCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 10/20 0.59
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
MAOB P27338 1/20 0.54
CASR P41180 2/20 0.52
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
BLM P54132 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ABCB1 P08183 1/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 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
SCHEMBL5268254 0.91 MEN1 (0.56) BCHEKMT2AMEN1MAOBCASR
SCHEMBL5273051 0.91 BCHE (0.53) BCHEKMT2AMEN1MAOBCASR
SCHEMBL5269022 0.87 BCHE (0.59) BCHEKMT2AMEN1CASRTDP1
SCHEMBL5269546 0.85 MEN1 (0.57) BCHEKMT2AMEN1MAOBCASR
SCHEMBL5270476 0.85 MEN1 (0.57) BCHEKMT2AMEN1MAOBCASR
SCHEMBL5274545 0.84 CASR (0.58) BCHEKMT2AMEN1MAOBCASR
SCHEMBL15131138 0.84 MEN1 (0.56) BCHEKMT2AMEN1MAOBCASR
SCHEMBL5267140 0.83 MEN1 (0.55) BCHEKMT2AMEN1MAOBCASR
SCHEMBL5267733 0.83 MEN1 (0.70) BCHEKMT2AMEN1MAOBCASR
SCHEMBL5267428 0.83 MEN1 (0.70) BCHEKMT2AMEN1MAOBCASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074539-B1 Process for producing optically active 3,3,3,-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL CO (JP) 2007-10-17 EP disclosed
US-6894190-B2 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-17 US disclosed
US-20030232886-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2003-12-18 US disclosed
US-6653507-B2 Useful intermediate compound of pharmaceuticals for urinary incontinence SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-11-25 US disclosed
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2002-10-03 US disclosed
US-6403832-B1 MIXING ACID WITH AMINE, PRECIPITATING SALT, AND FILTERING; GOOD OPTICAL PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-11 US disclosed
EP-1074539-A2 Process for producing optically active 3,3,3,-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-07 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 (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-20030232886-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, CYP8B1, CYP11B2 BCHE 1984/4885KMT2A 2648/4885MEN1 498/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 BCHE 2684/4885KMT2A 1610/4885MEN1 467/4885

“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.