SCHEMBL11250951

SCHEMBL11250951

CCOc1ccc(C=C(C(=O)O)C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.55
RELA Q04206 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
TP53 P04637 1/20 0.50
MEN1 O00255 1/20 0.50
NQO1 P15559 1/20 0.50
MAOB P27338 4/20 0.49
MAOA P21397 1/20 0.49
PARP10 Q53GL7 1/20 0.49
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48

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
SCHEMBL19994224 0.86 TP53 (0.53) NR1H4TP53ABCG2
SCHEMBL8415544 0.84 AKR1C3 (0.56) NR1H4RELANPC1RAB9AKMT2A
SCHEMBL4579188 0.84 AKR1C3 (0.56) NR1H4RELANPC1RAB9AKMT2A
SCHEMBL11100803 0.83 NR1H4 (0.72) NR1H4RELANPC1RAB9AKMT2A
SCHEMBL20162270 0.83 NR1H4 (0.56) NR1H4RELAKMT2AMAPTMEN1
SCHEMBL8413290 0.82 TP53 (0.60) TP53LMNA
SCHEMBL5083058 0.82 TP53 (0.60) TP53LMNA
SCHEMBL4964476 0.81 TP53 (0.46) NR1H4RAB9AKMT2AKDM4EMAPT
SCHEMBL6536139 0.81 TP53 (0.53) NR1H4ALDH1A1TP53
SCHEMBL8734502 0.80 NR1H4 (0.53) NR1H4RELANPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11596150-B2 Long chain glycolipids useful to avoid perishing or microbial contamination of materials IMD NATURAL SOLUTIONS GMB (DE) 2023-03-07 US disclosed
US-11350628-B2 Long chain glycolipids useful to avoid perishing or microbial contamination of materials IMD NATURAL SOLUTIONS GMBH (DE) 2022-06-07 US disclosed
US-20210298303-A1 Long chain glycolipids useful to avoid perishing or microbial contamination of materials IMD NATURAL SOLUTIONS GMBH (DE) 2021-09-30 US disclosed
US-20200154708-A1 LONG CHAIN GLYCOLIPIDS USEFUL TO AVOID PERISHING OR MICROBIAL CONTAMINATION OF MATERIALS IMD NATURAL SOLUTIONS GMBH (DE) 2020-05-21 US disclosed
EP-3322400-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS Merck Patent GmbH (DE) 2018-05-23 EP disclosed
EP-2717691-B1 LONG CHAIN GLYCOLIPIDS USEFUL TO AVOID PERISHING OR MICROBIAL CONTAMINATION OF MATERIALS IMD NATURAL SOLUTIONS GMBH (DE) 2017-08-16 EP disclosed
US-20140178444-A1 LONG CHAIN GLYCOLIPIDS USEFUL TO AVOID PERISHING OR MICROBIAL CONTAMINATION OF MATERIALS IMD NATURAL SOLUTIONS GMBH (DE) 2014-06-26 US disclosed
EP-2717691-A1 LONG CHAIN GLYCOLIPIDS USEFUL TO AVOID PERISHING OR MICROBIAL CONTAMINATION OF MATERIALS IMD Natural Solutions GmbH (DE) 2014-04-16 EP disclosed
WO-2012167920-A1 LONG CHAIN GLYCOLIPIDS USEFUL TO AVOID PERISHING OR MICROBIAL CONTAMINATION OF MATERIALS INTERMED DISCOVERY GMBH (DE) 2012-12-13 WO disclosed
EP-2532232-A1 Long chain glycolipids useful to avoid perishing or microbial contamination of materials InterMed Discovery GmbH (DE) 2012-12-12 EP disclosed
US-4329495-A USEFUL AS ANALGESICS OR ANTICONVULSANTS, CHIRAL 2-(2-BENZYL-3-MERCAPTOPROPIONYLAMINO)-THIOBUTYRIC ACIDS, OR ALKANOL DERIVATIVES PFIZER INC. (US) 1982-05-11 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 (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-20210298303-A1 Long chain glycolipids useful to avoid perishing or microbial contamination of materials LPO, PLIN1, PLIN3 NR1H4 3033/4885RELA 3710/4885NPC1 339/4885
US-11596150-B2 Long chain glycolipids useful to avoid perishing or microbial contamination of materials LPO, PLIN1, PLIN3 NR1H4 3033/4885RELA 3710/4885NPC1 339/4885
US-20140178444-A1 LONG CHAIN GLYCOLIPIDS USEFUL TO AVOID PERISHING OR MICROBIAL CONTAMINATION OF MATERIALS LPO, PLIN1, PLIN3 NR1H4 3033/4885RELA 3710/4885NPC1 339/4885
US-11350628-B2 Long chain glycolipids useful to avoid perishing or microbial contamination of materials LPO, PLIN1, PLIN3 NR1H4 3033/4885RELA 3710/4885NPC1 339/4885
US-20200154708-A1 LONG CHAIN GLYCOLIPIDS USEFUL TO AVOID PERISHING OR MICROBIAL CONTAMINATION OF MATERIALS LPO, PLIN1, PLIN3 NR1H4 3033/4885RELA 3710/4885NPC1 339/4885

“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.