SCHEMBL4486830

SCHEMBL4486830

CCC(=O)CC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
MAPK1 P28482 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
KMT2A Q03164 2/20 0.50
RAB9A P51151 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GAA P10253 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
NPC1 O15118 1/20 0.47
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
CDC25B P30305 1/20 0.45
LGALS8 O00214 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
Nitrous Acid SCHEMBL9596334 0.91 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1KMT2ARAB9A
SCHEMBL1011103 0.89 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1KMT2ARAB9A
SCHEMBL4915672 0.86 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1KMT2ARAB9A
SCHEMBL111605 0.85 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1KMT2ARAB9A
SCHEMBL1871761 0.85 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1KMT2ARAB9A
SCHEMBL294341 0.85 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1KMT2ARAB9A
SCHEMBL13286465 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1KMT2ARAB9A
SCHEMBL5396492 0.84 ALDH1A1 (0.72) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL1557559 0.84 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1KMT2ARAB9A
Hydrochloric Acid SCHEMBL27438937 0.83 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947600-A Preparation method of 2-isopropyl valeric acid as valproic acid process impurity 湖南省湘中制药有限公司 2023-10-27 CN claimed
CN-116874347-A Preparation method of impurity dipropylvaleric acid in valproic acid process 湖南省湘中制药有限公司 2023-10-13 CN claimed
CN-108569949-A A kind of synthesis 2- hydroxyls -2-(Containing methyl fluoride)The method of propionic acid 北京艾德旺科技发展有限公司 2018-09-25 CN claimed
CN-116947600-B Preparation method of 2-isopropyl valeric acid as valproic acid process impurity 湖南省湘中制药有限公司 2024-04-26 CN disclosed
CN-116874347-B Preparation method of impurity dipropylvaleric acid in valproic acid process 湖南省湘中制药有限公司 2024-03-29 CN disclosed
US-11814795-B2 Coating for recyclable paper JL DARLING LLC (US) 2023-11-14 US disclosed
CN-116947600-A Preparation method of 2-isopropyl valeric acid as valproic acid process impurity 湖南省湘中制药有限公司 2023-10-27 CN disclosed
CN-116874347-A Preparation method of impurity dipropylvaleric acid in valproic acid process 湖南省湘中制药有限公司 2023-10-13 CN disclosed
CN-108569949-A A kind of synthesis 2- hydroxyls -2-(Containing methyl fluoride)The method of propionic acid 北京艾德旺科技发展有限公司 2018-09-25 CN disclosed
US-10004737-B2 Fused imidazole and pyrazole derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BY) 2018-06-26 US disclosed
US-9969728-B2 Tetrahydroimidazopyridine derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-05-15 US disclosed
US-5216012-A Antitumor agents for intravenous administering; in organic solvent UNIVERSITY OF TOLEDO (US) 1993-06-01 US disclosed
US-5051415-A Indicators used for medical diagnosis of tumors by fluorescence THE UNIVERSITY OF TOLEDO (US) 1991-09-24 US disclosed
US-4877872-A DETECTING AND TREATING TUMORS THE UNIVERSITY OF TOLEDO (US) 1989-10-31 US disclosed
EP-0078026-B1 ANTIBIOTIC SYNTHESIS MERCK & CO. INC. (US) 1988-09-28 EP disclosed
EP-0078026-A2 Antibiotic synthesis MERCK & CO. INC. (US) 1983-05-04 EP disclosed
US-4225725-A X-RAY CONTRAST MEDIA MALLINCKRODT, INC. (US) 1980-09-30 US disclosed
US-4160015-A 2,4,6-Triiodobenzoic acid derivatives and their use as x-ray contrast agents MALLINCKRODT, INC. (US) 1979-07-03 US disclosed
US-4125599-A 2,4,6-TRIIODO-AMIDO-BENZOIC ACIDS MALLINCKRODT, INC. (US) 1978-11-14 US disclosed
US-4044141-A CORONARY DILATING, SPASMOLYTIC, HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-08-23 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 (1 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-10004737-B2 Fused imidazole and pyrazole derivatives as modulators of TNF activity TNF, TNFRSF1A, TNFRSF9 ALDH1A1 1594/4885MAPK1 240/4885L3MBTL1 3102/4885

“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.