SCHEMBL97166

SCHEMBL97166

CC(C)(C)OC(=O)c1ccccc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GRM6 O15303 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL347774 0.84 CYP3A4 (0.40) MEN1KMT2ATDP1LMNATHRB
SCHEMBL8565728 0.84 ADRA1A (0.39) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL20797216 0.83 PDK1 (0.37) MEN1KMT2ATDP1LMNATHRB
SCHEMBL27880238 0.83 RAB9A (0.37) MEN1KMT2ATDP1LMNATHRB
SCHEMBL2947290 0.83 ERN1 (0.39) MEN1KMT2ATDP1LMNATHRB
SCHEMBL1935692 0.83 PIM1 (0.39) MEN1KMT2AALDH1A1ADRA1AADRA1B
SCHEMBL109178 0.82 TSHR (0.50) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL30111657 0.82 TSHR (0.50) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL6874838 0.81 ATR (0.36) MEN1KMT2AALDH1A1ADRA1AADRA1B
Hydrogen Peroxide SCHEMBL29048859 0.81 TSHR (0.48) MEN1KMT2ATDP1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539280-B Novel compounds and structures for detecting hydrogen sulfide 佳能株式会社 2024-07-30 CN disclosed
US-12049469-B2 Compound and structural body for detecting hydrogen sulfide CANON KABUSHIKI KAISHA (JP) 2024-07-30 US disclosed
CN-114539280-A Novel compound and structure for detecting hydrogen sulfide 佳能株式会社 2022-05-27 CN disclosed
US-20220162226-A1 NOVEL COMPOUND AND STRUCTURAL BODY FOR DETECTING HYDROGEN SULFIDE CANON KABUSHIKI KAISHA (JP) 2022-05-26 US disclosed
US-20220162226-A1 NOVEL COMPOUND AND STRUCTURAL BODY FOR DETECTING HYDROGEN SULFIDE CANON KABUSHIKI KAISHA (JP) 2022-05-26 US disclosed
US-10421853-B2 Photosensitive gas generating agent and photocurable composition CANON KABUSHIKI KAISHA (JP) 2019-09-24 US disclosed
CN-105008350-B Antiviral compound 弗·哈夫曼-拉罗切有限公司 2018-05-08 CN disclosed
CN-105009256-B Photonasty gas producing agent and Photocurable composition 佳能株式会社 2017-09-15 CN disclosed
EP-2941781-B1 PHOTOSENSITIVE GAS GENERATING AGENT AND PHOTOCURABLE COMPOSITION CANON KK (JP) 2017-08-09 EP disclosed
US-20150368433-A1 PHOTOSENSITIVE GAS GENERATING AGENT AND PHOTOCURABLE COMPOSITION CANON KABUSHIKI KAISHA (JP) 2015-12-24 US disclosed
EP-0530579-A1 Condensed pyrimidine derivatives antitumor agents Eisai Co., Ltd. (JP) 1993-03-10 EP disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0180897-B1 5-FLUOROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-07 EP disclosed
EP-0436902-A1 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 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 (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-20220162226-A1 NOVEL COMPOUND AND STRUCTURAL BODY FOR DETECTING HYDROGEN SULFIDE SQOR, CBS, XDH MEN1 2223/4885KMT2A 3731/4885TDP1 4708/4885
US-20150368433-A1 PHOTOSENSITIVE GAS GENERATING AGENT AND PHOTOCURABLE COMPOSITION PFN1, PFAS, FRG1 MEN1 1716/4885KMT2A 2544/4885TDP1 4003/4885
US-10421853-B2 Photosensitive gas generating agent and photocurable composition PFN1, PFAS, FRG1 MEN1 1716/4885KMT2A 2544/4885TDP1 4003/4885
US-12049469-B2 Compound and structural body for detecting hydrogen sulfide SQOR, XDH, TST MEN1 1839/4885KMT2A 3494/4885TDP1 4583/4885

“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.