SCHEMBL98035

SCHEMBL98035

COc1cccc(O[C]=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CYP3A4 P08684 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.47
HCRTR1 O43613 1/20 0.46
PARP1 P09874 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MGLL Q99685 1/20 0.44
MAOB P27338 1/20 0.44
ENPP2 Q13822 1/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2E1 P05181 1/20 0.43
CYP2C8 P10632 1/20 0.43

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
SCHEMBL8151669 0.89 KMT2A (0.41) ACHECES2CES1CYP3A4CA1
1,3-Dimethoxybenzene SCHEMBL8163650 0.82 ACHE (0.54) ACHECES2CES1CYP3A4CA1
SCHEMBL2092734 0.81 ALDH1A1 (0.58) CYP3A4CA1CA2CA7CA9
1,3-Dimethoxybenzene SCHEMBL9350 0.81 ACHE (0.70) ACHECES2CES1CYP3A4CA1
1,3-Dimethoxybenzene SCHEMBL901285 0.81 ACHE (0.70) ACHECES2CES1CYP3A4CA1
1,3-Dimethoxybenzene SCHEMBL27703685 0.79 ACHE (0.61) ACHECES2CES1CYP3A4CA1
SCHEMBL98118 0.78 ACHE (0.56) ACHEALDH1A1LMNAKMT2A
SCHEMBL11849487 0.78 ACHE (0.50) ACHECES2CES1CYP3A4CA1
1,3-Dimethoxybenzene SCHEMBL7860661 0.78 ACHE (0.67) ACHECES2CES1CYP3A4CA1
1,3-Dimethoxybenzene SCHEMBL28542304 0.78 ACHE (0.67) ACHECES2CES1CYP3A4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739062-B2 Methods for 1,4-diazo N-heterocycle synthesis PURDUE RESEARCH FOUNDATION (US) 2023-08-29 US claimed
US-20210009533-A1 New Methods for 1,4-Diazo N-Heterocycle Synthesis PURDUE RESEARCH FOUNDATION (US) 2021-01-14 US claimed
US-10800745-B2 Methods for 1,4-diazo n-heterocycle synthesis PURDUE RESEARCH FOUNDATION (US) 2020-10-13 US claimed
US-20190055205-A1 New Methods for 1,4-Diazo N-Heterocycle Synthesis PURDUE RESEARCH FOUNDATION (US) 2019-02-21 US claimed
US-11739062-B2 Methods for 1,4-diazo N-heterocycle synthesis PURDUE RESEARCH FOUNDATION (US) 2023-08-29 US disclosed
US-20210009533-A1 New Methods for 1,4-Diazo N-Heterocycle Synthesis PURDUE RESEARCH FOUNDATION (US) 2021-01-14 US disclosed
US-10800745-B2 Methods for 1,4-diazo n-heterocycle synthesis PURDUE RESEARCH FOUNDATION (US) 2020-10-13 US disclosed
US-20190055205-A1 New Methods for 1,4-Diazo N-Heterocycle Synthesis PURDUE RESEARCH FOUNDATION (US) 2019-02-21 US disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-4942141-A Infrared absorbing squarylium dyes for dye-donor element used in laser-induced thermal dye transfer EASTMAN KODAK COMPANY (US) 1990-07-17 US disclosed
US-4912083-A Dye containing azo group and morpholine and phenyl rings EASTMAN KODAK COMPANY (US) 1990-03-27 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-0302441-A2 Bis-styryl compounds BASF Aktiengesellschaft (DE) 1989-02-08 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
US-4259350-A PROTECTING DEGRADABLE ORGANIC MATERIAL FROM FUNGAL OR INSECT ATTACK SANKYO COMPANY LIMITED (JP) 1981-03-31 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-10800745-B2 Methods for 1,4-diazo n-heterocycle synthesis AOC1, NDC1, DDO ACHE 2159/4885CES2 1638/4885CES1 3184/4885
US-20190055205-A1 New Methods for 1,4-Diazo N-Heterocycle Synthesis NDC1, DDO, AOC1 ACHE 2966/4885CES2 2055/4885CES1 3664/4885
US-11739062-B2 Methods for 1,4-diazo N-heterocycle synthesis AOC1, NDC1, DDO ACHE 2159/4885CES2 1638/4885CES1 3184/4885
US-20210009533-A1 New Methods for 1,4-Diazo N-Heterocycle Synthesis NDC1, DDO, AOC1 ACHE 2966/4885CES2 2055/4885CES1 3664/4885

“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.