SCHEMBL6402095

SCHEMBL6402095

O=C(O)[C@@H](O)c1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.61
MAPK1 P28482 1/20 0.61
KYNU Q16719 1/20 0.57
HIF1A Q16665 4/20 0.56
KDM4E B2RXH2 2/20 0.56
ADRB1 P08588 2/20 0.48
ADRA1A P35348 2/20 0.48
MIF P14174 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2B P41595 1/20 0.48
TSHR P16473 2/20 0.47
BLM P54132 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA12 O43570 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 0.47
CA6 P23280 1/20 0.47
ADRB2 P07550 1/20 0.46
HTR1A P08908 1/20 0.46

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
SCHEMBL1840382 1.00 LMNA (0.61) LMNAMAPK1KYNUHIF1AKDM4E
SCHEMBL29690043 1.00 LMNA (0.61) LMNAMAPK1KYNUHIF1AKDM4E
SCHEMBL2453388 1.00 LMNA (0.61) LMNAMAPK1KYNUHIF1AKDM4E
SCHEMBL276569 0.87 LMNA (0.73) LMNAMAPK1KYNUTSHRBLM
Mandelic Acid SCHEMBL14166146 0.84 LMNA (0.58) LMNAMAPK1KYNUHIF1AKDM4E
SCHEMBL29233497 0.84 KYNU (0.50) LMNAMAPK1KYNUHIF1AKDM4E
Mandelic Acid SCHEMBL28078527 0.83 LMNA (0.82) LMNAMAPK1KYNUHIF1AKDM4E
SCHEMBL11213020 0.82 KYNU (0.47) LMNAMAPK1KYNUHIF1AKDM4E
SCHEMBL29172244 0.82 ADRB1 (0.52) LMNAKYNUHIF1AKDM4EADRB1
SCHEMBL5350612 0.82 ADRB1 (0.52) LMNAKYNUHIF1AKDM4EADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109467502-B Method for splitting mandelic acid compound enantiomer 湖南科技大学 2021-07-30 CN disclosed
CN-109467502-A A method of splitting almond acid compounds enantiomer 湖南科技大学 2019-03-15 CN disclosed
US-6921758-B2 Amino acid derivatives ASTRAZENECA AB (SE) 2005-07-26 US disclosed
US-20040087647-A1 NEW AMINO ACID DERIVATIVES ASTRAZENECA AB 2004-05-06 US disclosed
CN-1147504-C New thrombin inhibitors their preparation and use 2004-04-28 CN disclosed
US-6617320-B2 Protease inhibitor; anticoagulants ASTRAZENECA AB (SE) 2003-09-09 US disclosed
EP-0836615-B1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE ASTRAZENECA AB (SE) 2003-04-23 EP disclosed
US-20020042396-A1 Amino acid derivatives ASTRA AB 2002-04-11 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
CN-1195354-A New thrombin inhibitors their preparation and use ASTRA AB (SE) 1998-10-07 CN 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
US-4297489-A CEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1981-10-27 US disclosed
US-4172196-A CEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1979-10-23 US disclosed
US-4112228-A BACTERICIDES BRISTOL-MYERS COMPANY (US) 1978-09-05 US disclosed
US-3985738-A ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1976-10-12 US 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-20020042396-A1 Amino acid derivatives F2, SERPINC1, ARGLU1 LMNA 3361/4885MAPK1 1223/4885KYNU 203/4885
US-20040087647-A1 NEW AMINO ACID DERIVATIVES F2, ANPEP, PEPD LMNA 2654/4885MAPK1 1138/4885KYNU 267/4885

“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.