SCHEMBL6400516

SCHEMBL6400516

COc1ccccc1[C@H](O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 2/20 0.53
POLB P06746 2/20 0.53
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 2/20 0.50
BLM P54132 1/20 0.50
FABP4 P15090 1/20 0.49
FABP5 Q01469 1/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 1/20 0.48
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL503435 1.00 KMT2A (0.55) KMT2ANPSR1POLBHTTL3MBTL1
SCHEMBL503436 1.00 KMT2A (0.55) KMT2ANPSR1POLBHTTL3MBTL1
SCHEMBL11081241 0.85 CA12 (0.47) KMT2ANPSR1POLBHTTL3MBTL1
SCHEMBL2461228 0.85 KDM4E (0.50) KMT2ANPSR1POLBHTTL3MBTL1
SCHEMBL2461230 0.85 KDM4E (0.50) KMT2ANPSR1POLBHTTL3MBTL1
SCHEMBL4697541 0.85 FABP4 (0.48) KMT2ANPSR1POLBHTTL3MBTL1
SCHEMBL1354214 0.85 PTGS2 (0.55) TSHRBLMFABP4FABP5LMNA
SCHEMBL14800030 0.85 PTGS2 (0.55) TSHRBLMFABP4FABP5LMNA
SCHEMBL5171115 0.85 PTGS2 (0.55) TSHRBLMFABP4FABP5LMNA
SCHEMBL13170107 0.84 POLB (0.49) KMT2ANPSR1POLBHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3196185-B1 ASYMMETRICAL HYDROGENATION REACTION OF KETONIC ACID COMPOUND ZHEJIANG JIUZHOU PHARMA SCIENCE & TECH CO LTD (CN) 2019-06-12 EP 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
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
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
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 (3 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 KMT2A 1275/4885NPSR1 3168/4885POLB 2272/4885
US-20020042396-A1 Amino acid derivatives F2, SERPINC1, ARGLU1 KMT2A 2405/4885NPSR1 361/4885POLB 1972/4885
US-20040087647-A1 NEW AMINO ACID DERIVATIVES F2, ANPEP, PEPD KMT2A 2873/4885NPSR1 309/4885POLB 2523/4885

“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.