SCHEMBL854302

SCHEMBL854302

CCOC(=O)C(Cc1ccc(OC)cc1)C(C)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.63
EPHX2 P34913 1/20 0.51
KMT2A Q03164 3/20 0.49
GLA P06280 1/20 0.49
MMP8 P22894 1/20 0.49
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
CCR6 P51684 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SLC6A4 P31645 1/20 0.45
ACACB O00763 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 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
SCHEMBL490486 0.92 LDHA (0.69) LDHAEPHX2KMT2AGLAMMP8
SCHEMBL3800254 0.87 LDHA (0.67) LDHAHTTSLC6A4ACACBPPARG
SCHEMBL6688761 0.87 LDHA (0.76) LDHAKMT2AALDH1A1MEN1HTT
SCHEMBL2570738 0.86 LDHA (0.61) LDHAEPHX2KMT2AGLAMMP8
SCHEMBL5326604 0.85 MMP8 (0.53) LDHAKMT2AMMP8ALDH1A1TDP1
SCHEMBL2050344 0.85 MMP8 (0.53) LDHAKMT2AMMP8ALDH1A1TDP1
SCHEMBL7055409 0.85 KMT2A (0.54) LDHAEPHX2KMT2AGLAALDH1A1
Malonic Acid SCHEMBL6827835 0.85 LDHA (0.64) LDHAEPHX2KMT2AGLAMMP8
SCHEMBL9247229 0.85 LDHA (0.59) LDHAEPHX2KMT2AGLAMMP8
SCHEMBL28675703 0.84 MEN1 (0.51) LDHAKMT2AMMP8TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11851435-B2 PTGR2 inhibitors and their use NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2023-12-26 US disclosed
US-20230279008-A1 PTGR2 INHIBITORS AND THEIR USE NATIONAL TAIWAN UNIVERSITY (TW) 2023-09-07 US disclosed
US-20220276257-A1 Modular Chemical Probe For Detection Of Amino Acid Citrulline In Physiological Samples WISYS TECH FOUNDATION INC (US) 2022-09-01 US disclosed
EP-2432768-B1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2017-07-05 EP disclosed
US-9533978-B2 Pyrimidine derivatives and their use in the treatment of cancer and further diseases SUMITOMO DAINIPPON PHARMA CO., LTD (JP) 2017-01-03 US disclosed
US-20150080396-A1 Novel Pyrimidine Derivatives and Their Use in the Treatment of Cancer and Further Diseases DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2015-03-19 US disclosed
EP-2432768-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES AstraZeneca AB (SE) 2012-03-28 EP disclosed
WO-2011114148-A1 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2011-09-22 WO disclosed
WO-2010133885-A1 NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES ASTRAZENECA AB (SE) 2010-11-25 WO disclosed
WO-2007144625-A1 2-OXO-2H-CHROMENE COMPOUNDS ARGENTA DISCOVERY LIMITED (GB) 2007-12-21 WO disclosed
EP-0763035-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-03-19 EP disclosed
EP-0676959-A4 ENDOTHELIN RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM CORP (US) 1996-01-03 EP disclosed
WO-1995033752-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed
WO-1995033748-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed
EP-0676959-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-18 EP disclosed
WO-1994014434-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed
US-4081596-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1978-03-28 US disclosed
US-4005215-A DIURETIC BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 US disclosed
US-3978077-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (GB) 1976-08-31 US disclosed
US-3957814-A DIURETICS, SALURETICS, HYPOTENSIVE AGENTS, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 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 (4 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-11851435-B2 PTGR2 inhibitors and their use PTGFR, PTGIR, PTGDR2 LDHA 2821/4885EPHX2 428/4885KMT2A 4016/4885
US-20150080396-A1 Novel Pyrimidine Derivatives and Their Use in the Treatment of Cancer and Further Diseases TYMS, TYMP, DPYD LDHA 1595/4885EPHX2 1016/4885KMT2A 2908/4885
US-20230279008-A1 PTGR2 INHIBITORS AND THEIR USE PTGFR, PTGIR, PTGDR2 LDHA 2821/4885EPHX2 428/4885KMT2A 4016/4885
US-20220276257-A1 Modular Chemical Probe For Detection Of Amino Acid Citrulline In Physiological Samples PADI3, PADI2, PADI1 LDHA 515/4885EPHX2 3754/4885KMT2A 1030/4885

“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.