SCHEMBL4348492

SCHEMBL4348492

Cc1ccc(C(C)[O])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHRNA7 P36544 1/20 0.46
ALOX5 P09917 1/20 0.43
ALDH1A1 P00352 2/20 0.43
STAT3 P40763 1/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CYP2A6 P11509 1/20 0.38
GRIA4 P48058 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL11747913 0.87 TYR (0.39) ALOX5ALDH1A1LMNA
SCHEMBL8036449 0.79 TYR (0.52) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL18242442 0.78 CHRNA7 (0.42) ACHETDP1CHRNA7ALOX5ALDH1A1
SCHEMBL4434585 0.77 ACHE (0.47) ACHETDP1CHRNA7ALOX5ALDH1A1
SCHEMBL31489555 0.77 ACHE (0.47) ACHETDP1CHRNA7ALOX5ALDH1A1
SCHEMBL1047188 0.77 CYP1A2 (0.48) ALOX5ALDH1A1LMNACYP2A6
SCHEMBL897929 0.77 ACHE (0.47) ACHETDP1CHRNA7ALOX5ALDH1A1
P-Cymene SCHEMBL1143 0.75 ACHE (0.53) ACHETDP1CHRNA7ALOX5LMNA
SCHEMBL6546299 0.75 ACHE (0.53) ACHETDP1CHRNA7ALOX5ALDH1A1
SCHEMBL146509 0.75 ESR1 (0.55) ACHETDP1CHRNA7ALOX5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117940155-A Immunogenic composition, preparation method and application thereof 清华大学 2024-04-26 CN disclosed
EP-3348269-B1 MEVALONATE PATHWAY INHIBITOR AS HIGHLY-EFFECTIVE VACCINE ADJUVANT UNIV TSINGHUA (CN) 2023-11-15 EP disclosed
CN-111225672-B Mevalonate pathway inhibitor and pharmaceutical composition thereof 清华大学 2023-09-29 CN disclosed
US-20220387584-A1 MEVALONATE PATHWAY INHIBITOR AS HIGHLY-EFFICIENT VACCINE ADJUVANT TSINGHUA UNIVERSITY (CN) 2022-12-08 US disclosed
CN-114920744-A Non-covalent BTK kinase inhibitor and biological application thereof 中国药科大学 2022-08-19 CN disclosed
US-11382971-B2 Mevalonate pathway inhibitor as highly-efficient vaccine adjuvant TSINGHUA UNIVERSITY (CN) 2022-07-12 US disclosed
US-20210008084-A1 MEVALONATE PATHWAY INHIBITOR AND PHARMACEUTICAL COMPOSITION THEREOF TSINGHUA UNIVERSITY (CN) 2021-01-14 US disclosed
EP-3698797-A1 MEVALONIC ACID PATHWAY INHIBITOR AND PHARMACEUTICAL COMPOSITION THEREOF Tsinghua University (CN) 2020-08-26 EP disclosed
US-20190321465-A1 MEVALONATE PATHWAY INHIBITOR AS HIGHLY-EFFICIENT VACCINE ADJUVANT TSINGHUA UNIVERSITY (CN) 2019-10-24 US disclosed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
WO-2013071697-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2013-05-23 WO disclosed
US-20090275779-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BENZYLAMINE DERIVATIVE KANEKA CORPORATION (JP) 2009-11-05 US disclosed
EP-1942103-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BENZYLAMINE DERIVATIVE Kaneka Corporation (JP) 2008-07-09 EP disclosed
EP-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 EP disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed
US-4742073-A ANTIGLAUCOMA BUNDGAARD HANS (DK) 1988-05-03 US disclosed
EP-0106541-A2 Pilocarpine prodrugs Bundgaard, Hans (DK) 1984-04-25 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 (6 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-20190321465-A1 MEVALONATE PATHWAY INHIBITOR AS HIGHLY-EFFICIENT VACCINE ADJUVANT GGPS1, HMGCR, COASY ACHE 897/4885TDP1 3476/4885CHRNA7 3525/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 ACHE 4671/4885TDP1 3467/4885CHRNA7 2626/4885
US-11382971-B2 Mevalonate pathway inhibitor as highly-efficient vaccine adjuvant GGPS1, HMGCR, COASY ACHE 931/4885TDP1 3503/4885CHRNA7 3558/4885
US-20210008084-A1 MEVALONATE PATHWAY INHIBITOR AND PHARMACEUTICAL COMPOSITION THEREOF PDCD1, CD274, PDCD5 ACHE 4655/4885TDP1 3364/4885CHRNA7 4533/4885
US-20090275779-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BENZYLAMINE DERIVATIVE SMS, SRM, ABHD5 ACHE 1363/4885TDP1 4486/4885CHRNA7 3853/4885
US-20220387584-A1 MEVALONATE PATHWAY INHIBITOR AS HIGHLY-EFFICIENT VACCINE ADJUVANT COASY, GGPS1, HMGCR ACHE 927/4885TDP1 3524/4885CHRNA7 3627/4885

“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.