SCHEMBL6103148

SCHEMBL6103148

CC(C)C[C@H](N)C(=O)Oc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 3/20 0.50
PGR P06401 1/20 0.50
GAA P10253 1/20 0.50
PTGS1 P23219 1/20 0.50
MAPK1 P28482 1/20 0.50
PSMB5 P28074 1/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
OGG1 O15527 1/20 0.43
NR2E1 Q9Y466 2/20 0.42
TSHR P16473 1/20 0.42
MMP2 P08253 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
Leucine SCHEMBL7633145 0.84 CARM1 (0.43) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL246709 0.83 ALDH1A1 (0.57) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL8458747 0.83 ALDH1A1 (0.57) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL4600933 0.83 ALDH1A1 (0.57) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL28372888 0.81 MAPT (0.53) ALDH1A1GAAMAPK1KMT2AL3MBTL1
SCHEMBL9323234 0.80 PTGS1 (0.50) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL10714230 0.80 ALDH1A1 (0.60) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL10713841 0.80 ALDH1A1 (0.60) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL27577951 0.79 HTR1B (0.51) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL12396105 0.79 ANPEP (0.51) ALDH1A1HSD17B10PGRGAAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128955-A1 Method of isolating (R)-tofisopam VELA PHARMACEUTICALS, INC. (US) 2006-06-15 US disclosed
CN-1547567-A Chiral resolution method for producing compounds useful in the synthesis of taxanes ���׿ƹɷ����޹�˾ 2004-11-17 CN disclosed
CN-1168701-C Method for purifying branched chain amino acids 味之素株式会社 2004-09-29 CN disclosed
US-6653501-B2 Using chromatographic process for separating a target chiral compound from its enantiomer in a racemic mixtures; purification NAPRO BIOTHERAPEUTICS, INC. 2003-11-25 US disclosed
CN-1334727-A Method and composition for treating and preventing tuberculosis SARAWAK MEDICHEM PHARMACEUTICALS INC (US) 2002-02-06 CN disclosed
US-6072083-A Method for purifying branched chain amino acids AJINOMOTO CO., INC. (JP) 2000-06-06 US disclosed
EP-0861826-B1 Method for purifying branched chain amino acids AJINOMOTO KK (JP) 2000-04-26 EP disclosed
CN-1197060-A Method for purifying branched chain amino acids AJINOMOTO KK (JP) 1998-10-28 CN disclosed
EP-0861826-A1 Method for purifying branched chain amino acids Ajinomoto Co., Inc. (JP) 1998-09-02 EP disclosed
US-5487831-A FULLERENES IMMOBILIZED ON SUPPORT RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1996-01-30 US disclosed
US-5338529-A Chromatography detection, separation of fullerenes RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-08-16 US disclosed
WO-1993022272-A1 RECOGNITION AND SEPARATION OF CARBON CLUSTERS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-11-11 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-20060128955-A1 Method of isolating (R)-tofisopam NPEPPS, NPPA, THOP1 ALDH1A1 3345/4885HSD17B10 2513/4885PGR 4691/4885

“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.