SCHEMBL2847154

SCHEMBL2847154

CC(C)(O)CC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KMT2A Q03164 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 3/20 0.46
HCAR2 Q8TDS4 1/20 0.46
CDC25B P30305 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 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
SCHEMBL23142607 0.87 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL10243854 0.87 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL22882669 0.86 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL3283062 0.85 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL3185138 0.85 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL4178623 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL7269037 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL6449232 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL20054184 0.83 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL7293851 0.83 TDP1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4634197-A1 COMPOSITIONS AND METHODS FOR CHEMOPROTEOMICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-10-22 EP disclosed
EP-4573102-A2 COMPOSITIONS AND METHODS FOR CHEMOPROTEOMIC REAGENT SYNTHESIS AND APPLICATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-06-25 EP disclosed
WO-2024129830-A1 COMPOSITIONS AND METHODS FOR CHEMOPROTEOMICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 WO disclosed
WO-2024102186-A2 COMPOSITIONS AND METHODS FOR CHEMOPROTEOMIC REAGENT SYNTHESIS AND APPLICATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-05-16 WO disclosed
US-11814364-B2 Pyridine N-oxide derivatives useful as factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-11-14 US disclosed
US-20230091768-A1 PYRIDINE N-OXIDE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS JANSSEN RESEARCH & DEVELOPMENT, LLC 2023-03-23 US disclosed
EP-3019604-B1 MEVALONATE DIPHOSPHATE DECARBOXYLASE VARIANTS GLOBAL BIOENERGIES (FR) 2020-08-26 EP disclosed
US-20180036416-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS Graybug Vision, Inc. (US) 2018-02-08 US disclosed
EP-2025667-B1 9,10-SECOPREGNANE DERIVATIVE AND PHARMACEUTICAL NIPPON SHINYAKU CO LTD (JP) 2016-08-10 EP disclosed
US-20160032326-A1 Production of Alkenes by Combined Enzymatic Conversion of 3-Hydroxyalkanoic Acids GLOBAL BIOENERGIES 2016-02-04 US disclosed
US-8796246-B2 9, 10-secopregnane derivative and pharmaceutical NIPPON SHINYAKU CO., LTD. (JP) 2014-08-05 US disclosed
US-20100130454-A1 9,10-SECOPREGNANE DERIVATIVES AND MEDICINE NIPPON SHINYAKU CO., LTD. (JP) 2010-05-27 US disclosed
US-20100016263-A1 9, 10-SECOPREGNANE DERIVATIVE AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2010-01-21 US disclosed
EP-2025667-A1 9,10-SECOPREGNANE DERIVATIVE AND PHARMACEUTICAL Nippon Shinyaku Co., Ltd. (JP) 2009-02-18 EP disclosed
EP-1829860-A1 9,10-SECOPREGNANE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2007-09-05 EP 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-20180036416-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF OCULAR DISORDERS PTGIR, PTGIS, CA2 ALDH1A1 1010/4885MAPK1 754/4885L3MBTL1 4620/4885
US-20230091768-A1 PYRIDINE N-OXIDE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS F11, F2, KLKB1 ALDH1A1 3702/4885MAPK1 1061/4885L3MBTL1 4797/4885
US-20100130454-A1 9,10-SECOPREGNANE DERIVATIVES AND MEDICINE VDR, CYP2R1, CYP24A1 ALDH1A1 3069/4885MAPK1 1754/4885L3MBTL1 3625/4885
US-11814364-B2 Pyridine N-oxide derivatives useful as factor XIa inhibitors F11, F2, KLKB1 ALDH1A1 3702/4885MAPK1 1061/4885L3MBTL1 4797/4885
US-20100016263-A1 9, 10-SECOPREGNANE DERIVATIVE AND PHARMACEUTICAL CYP2R1, VDR, CYP24A1 ALDH1A1 3019/4885MAPK1 1610/4885L3MBTL1 4369/4885

“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.