SCHEMBL4946211

SCHEMBL4946211

O=C(O)[C@@H](O)c1ccc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
MAPK1 P28482 1/20 0.59
UGT2B7 P16662 1/20 0.57
SLC6A2 P23975 4/20 0.49
SLC6A4 P31645 4/20 0.49
SLC6A3 Q01959 4/20 0.49
KCNH2 Q12809 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
MMP9 P14780 1/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.46
PDPK1 O15530 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
CES2 O00748 1/20 0.45

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
SCHEMBL198264 1.00 LMNA (0.59) LMNAMAPK1UGT2B7SLC6A2SLC6A4
SCHEMBL29785786 1.00 LMNA (0.59) LMNAMAPK1UGT2B7SLC6A2SLC6A4
SCHEMBL2683267 1.00 LMNA (0.59) LMNAMAPK1UGT2B7SLC6A2SLC6A4
SCHEMBL28555283 0.83 CES2 (0.63) LMNAUGT2B7SLC6A2SLC6A4SLC6A3
Mandelic Acid SCHEMBL29547062 0.83 LMNA (0.86) LMNAMAPK1CYP2D6KMT2ABLM
SCHEMBL19042004 0.82 UGT2B7 (0.60) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7150615 0.82 SRC (0.58) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3579124 0.82 UGT2B7 (0.53) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2
Mandelic Acid SCHEMBL6425366 0.80 SNCA (0.55) LMNAMAPK1TSHR
SCHEMBL6839913 0.80 UGT2B7 (0.52) UGT2B7SLC6A2SLC6A4SLC6A3KCNH2

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10857517-B2 Porous chiral materials and uses thereof NANKAI UNIVERSITY (CN) 2020-12-08 US disclosed
EP-3196185-B1 ASYMMETRICAL HYDROGENATION REACTION OF KETONIC ACID COMPOUND ZHEJIANG JIUZHOU PHARMA SCIENCE & TECH CO LTD (CN) 2019-06-12 EP disclosed
EP-3196185-B1 ASYMMETRICAL HYDROGENATION REACTION OF KETONIC ACID COMPOUND ZHEJIANG JIUZHOU PHARMA SCIENCE & TECH CO LTD (CN) 2019-06-12 EP disclosed
US-10112884-B2 Asymmetrical hydrogenation reaction of ketonic acid compound ZHEJIANG JIUZHOU PHARMA SCIENCE & TECH CO LTD (CN) 2018-10-30 US disclosed
US-20170260119-A1 Asymmetrical hydrogenation reaction of ketonic acid compound ZHEJIANG JIUZHOU PHARMA SCIENCE&TECHNOLOGY CO LTD (CN) 2017-09-14 US disclosed
US-20170260119-A1 Asymmetrical hydrogenation reaction of ketonic acid compound ZHEJIANG JIUZHOU PHARMA SCIENCE&TECHNOLOGY CO LTD (CN) 2017-09-14 US disclosed
US-20170260119-A1 Asymmetrical hydrogenation reaction of ketonic acid compound ZHEJIANG JIUZHOU PHARMA SCIENCE&TECHNOLOGY CO LTD (CN) 2017-09-14 US disclosed
EP-3196185-A1 ASYMMETRICAL HYDROGENATION REACTION OF KETONIC ACID COMPOUND Zhejiang Jiuzhou Pharma Science & Technology Co., Ltd. (CN) 2017-07-26 EP disclosed
EP-3196185-A1 ASYMMETRICAL HYDROGENATION REACTION OF KETONIC ACID COMPOUND Zhejiang Jiuzhou Pharma Science & Technology Co., Ltd. (CN) 2017-07-26 EP disclosed
US-9315792-B2 Nitrilases, nucleic acids encoding them and methods for making and using them BASF ENZYMES LLC (US) 2016-04-19 US disclosed
EP-0915080-B1 Process for preparing optically active amines and optically active carboxylic acids, and intermediates for preparation YAMAKAWA CHEMICAL IND (JP) 2003-03-26 EP disclosed
WO-2003000840-A2 NITRILASES DIVERSA CORPORATION (US) 2003-01-03 WO disclosed
US-20020103400-A1 Process for producing optically active 1-(fluoro- or trifluoromethyl-substituted phenyl) ethylamine and process for purifying same CENTRAL GLASS COMPANY, LIMITED (JP) 2002-08-01 US disclosed
US-20020042396-A1 Amino acid derivatives ASTRA AB 2002-04-11 US disclosed
US-6342636-B1 REACTION OF ARYLALKYLAMINE WITH NAPHTHYLGLYCOLIC ACID AND DECOMPOSITION A DIASTEROMER SALT TO OBTAIN AN ENANTIOMORPH YAMAKAWA CHEMICAL INDUSTRY CO., LTD. (JP) 2002-01-29 US disclosed
US-6337343-B1 TREATMENT OF THROMBOSIS WITH ANTICOAGULANTS ASTRAZENECA AB (SE) 2002-01-08 US disclosed
US-6051568-A Thrombin inhibitors, their preparation and use ASTRA AKTIEBOLAG (SE) 2000-04-18 US disclosed
EP-0915080-A1 Process for preparing optically active amines and optically active carboxylic acids, and intermediates for preparation YAMAKAWA CHEMICAL INDUSTRY CO., LTD. (JP) 1999-05-12 EP disclosed
EP-0836615-A1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE Astra Aktiebolag (SE) 1998-04-22 EP disclosed
WO-1997002284-A1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE ASTRA AKTIEBOLAG (SE) 1997-01-23 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 (5 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-20170260119-A1 Asymmetrical hydrogenation reaction of ketonic acid compound KHK, PKLR, BCKDK LMNA 3213/4885MAPK1 1240/4885UGT2B7 2143/4885
US-20020103400-A1 Process for producing optically active 1-(fluoro- or trifluoromethyl-substituted phenyl) ethylamine and process for purifying same MAP2K5, MAP2K4, MAP2K1 LMNA 1127/4885MAPK1 475/4885UGT2B7 2702/4885
US-20020042396-A1 Amino acid derivatives F2, SERPINC1, ARGLU1 LMNA 3361/4885MAPK1 1223/4885UGT2B7 2662/4885
US-10857517-B2 Porous chiral materials and uses thereof ANXA7, XDH, OPRM1 LMNA 219/4885MAPK1 1200/4885UGT2B7 777/4885
US-10112884-B2 Asymmetrical hydrogenation reaction of ketonic acid compound KHK, PKLR, BCKDK LMNA 3213/4885MAPK1 1240/4885UGT2B7 2143/4885

“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.