SCHEMBL17528779

SCHEMBL17528779

c1ccc(OP(Oc2ccccc2)Oc2ccccc2-c2ccccc2OP(Oc2ccccc2)Oc2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.36
TSHR P16473 1/20 0.36
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
CA4 P22748 1/20 0.33
PTGS2 P35354 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
BRD4 O60885 2/20 0.32
KCNA3 P22001 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH1 P35367 1/20 0.31
CTNNB1 P35222 1/20 0.31
NSD2 O96028 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HKDC1 Q2TB90 1/20 0.31

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
SCHEMBL11250659 0.90 NCOA1 (0.46) NCOA1NCOA3PTGS2LMNABRD4
SCHEMBL17528777 0.88 LTA4H (0.41) LTA4HTSHRCA4LMNAGAA
SCHEMBL17528781 0.84 CA4 (0.43) LTA4HCA4PTGS2LMNAGAA
SCHEMBL13289 0.83 LTA4H (0.50) LTA4HTSHRCA4LMNAKMT2A
SCHEMBL16415989 0.80 LTA4H (0.47) LTA4HTSHRCA4LMNAKMT2A
SCHEMBL11681119 0.80 LTA4H (0.47) LTA4HTSHRCA4LMNAKMT2A
Iodide SCHEMBL5553135 0.80 LTA4H (0.47) LTA4HTSHRCA4LMNAKMT2A
SCHEMBL8113527 0.80 LTA4H (0.47) LTA4HTSHRCA4LMNAKMT2A
SCHEMBL8662152 0.80 LTA4H (0.47) LTA4HTSHRCA4LMNAKMT2A
SCHEMBL3009883 0.80 LTA4H (0.47) LTA4HTSHRCA4LMNAKMT2A

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
EP-4190769-A1 APPLICATION OF POLYDENTATE PHOSPHITE LIGAND IN CATALYTIC SYNTHESIS OF ADIPONITRILE Zhejiang University (CN) 2023-06-07 EP disclosed
WO-2023060929-A1 APPLICATION OF POLYDENTATE PHOSPHITE LIGAND IN CATALYTIC SYNTHESIS OF ADIPONITRILE 浙江大学 2023-04-20 WO disclosed
EP-2870167-B1 STABLE LIGAND MIXTURES AND PROCESSES FOR MAKING SAME INVISTA TEXTILES UK LTD (GB) 2021-12-29 EP disclosed
US-11059835-B2 Synthesis of cephalosporin compounds MERCK SHARP & DOHME CORP. (US) 2021-07-13 US disclosed
US-20200385404-A1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2020-12-10 US disclosed
EP-3180347-B1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-23 EP disclosed
US-10662202-B2 Synthesis of cephalosporin compounds MERCK SHARP & DOHM CORP. (US) 2020-05-26 US disclosed
US-20190263831-A1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2019-08-29 US disclosed
US-9834505-B2 Stable ligand mixtures and processes for making same INVISTA NORTH AMERICA S.A.R.L. (US) 2017-12-05 US disclosed
US-20170275300-A1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-09-28 US disclosed
US-20170275300-A1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-09-28 US disclosed
WO-2016025839-A1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2016-02-18 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-10662202-B2 Synthesis of cephalosporin compounds COASY, DDT, PEPD LTA4H 4463/4885TSHR 3778/4885NCOA1 3929/4885
US-20200385404-A1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS COASY, DDT, PEPD LTA4H 4463/4885TSHR 3778/4885NCOA1 3929/4885
US-11059835-B2 Synthesis of cephalosporin compounds COASY, DDT, PEPD LTA4H 4463/4885TSHR 3778/4885NCOA1 3929/4885
US-20170275300-A1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS COASY, NRDC, NUCB2 LTA4H 4651/4885TSHR 3794/4885NCOA1 1883/4885
US-20190263831-A1 SYNTHESIS OF CEPHALOSPORIN COMPOUNDS COASY, DDT, PEPD LTA4H 4463/4885TSHR 3778/4885NCOA1 3929/4885

“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.