SCHEMBL40488

SCHEMBL40488

CCCCCC1CNCCO1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.57
ALDH1A1 P00352 1/20 0.50
SLC6A2 P23975 8/20 0.42
SLC6A3 Q01959 7/20 0.42
SLC6A4 P31645 5/20 0.42
ADRB2 P07550 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
ADRA2C P18825 1/20 0.39
GBA1 P04062 3/20 0.36
CYP1A2 P05177 2/20 0.36
SPHK1 Q9NYA1 2/20 0.35
GUSB P08236 1/20 0.35

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
SCHEMBL16652362 0.98 EPHX1 (0.60) EPHX1ALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL5712866 0.98 EPHX1 (0.60) EPHX1ALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL4426423 0.98 EPHX1 (0.60) EPHX1ALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL16652905 0.98 EPHX1 (0.60) EPHX1ALDH1A1SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL15485075 0.98 EPHX1 (0.55) EPHX1ALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL8657970 0.98 EPHX1 (0.60) EPHX1ALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL17649948 0.98 EPHX1 (0.60) EPHX1ALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL4423889 0.98 EPHX1 (0.60) EPHX1ALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL8661751 0.98 EPHX1 (0.60) EPHX1ALDH1A1SLC6A2SLC6A3SLC6A4
SCHEMBL16652625 0.98 EPHX1 (0.60) EPHX1ALDH1A1SLC6A2SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110790981-B PVC plasticizer and preparation method thereof 克拉通聚合物研究有限公司 2024-01-12 CN claimed
CN-112075177-A Fertilizing method for grapes ripe twice a year 衡东县新旺种养农民专业合作社 2020-12-15 CN claimed
US-10750740-B2 Agricultural formulations with amides and acyl morpholines NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2020-08-25 US claimed
EP-3204453-B1 LOW MOLECULAR WEIGHT GRAFT POLYMER FOR SCALE INHIBITOR HERCULES LLC (US) 2019-08-28 EP claimed
US-9914790-B2 Low molecular weight graft polymer for scale inhibitor HERCULES LLC (US) 2018-03-13 US claimed
EP-3204453-A1 LOW MOLECULAR WEIGHT GRAFT POLYMER FOR SCALE INHIBITOR Hercules LLC (US) 2017-08-16 EP claimed
EP-2782444-B1 AGRICULTURAL FORMULATIONS WITH AMIDES AND ACYL MORPHOLINES AKZO NOBEL CHEMICALS INT BV (NL) 2017-04-19 EP claimed
EP-2575446-B1 AGRICULTURAL FORMULATIONS WITH ACYL MORPHOLINES AND POLAR APROTIC CO-SOLVENTS AKZO NOBEL CHEMICALS INT BV (NL) 2016-04-20 EP claimed
WO-2016057299-A1 LOW MOLECULAR WEIGHT GRAFT POLYMER FOR SCALE INHIBITOR HERCULES INCORPORATED (US) 2016-04-14 WO claimed
US-20160096908-A1 LOW MOLECULAR WEIGHT GRAFT POLYMER FOR SCALE INHIBITOR ISP INVESTMENTS LLC 2016-04-07 US claimed
US-20140315718-A1 Agricultural formulations with amides and acyl morpholines NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2014-10-23 US claimed
EP-2782444-A1 AGRICULTURAL FORMULATIONS WITH AMIDES AND ACYL MORPHOLINES Akzo Nobel Chemicals International B.V. (NL) 2014-10-01 EP claimed
EP-2782445-A1 AGRICULTURAL FORMULATIONS WITH AROMATIC SOLVENTS AND ACYL MORPHOLINES Akzo Nobel Chemicals International B.V. (NL) 2014-10-01 EP claimed
WO-2013076202-A1 AGRICULTURAL FORMULATIONS WITH AROMATIC SOLVENTS AND ACYL MORPHOLINES AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2013-05-30 WO claimed
WO-2013076200-A1 AGRICULTURAL FORMULATIONS WITH AMIDES AND ACYL MORPHOLINES AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2013-05-30 WO claimed
US-20130130908-A1 Agricultural Formulations with Acyl Morpholines and Polar Aprotic Co-Solvents AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2013-05-23 US claimed
EP-2575446-A2 AGRICULTURAL FORMULATIONS WITH ACYL MORPHOLINES AND POLAR APROTIC CO-SOLVENTS Akzo Nobel Chemicals International B.V. (NL) 2013-04-10 EP claimed
WO-2011147822-A2 AGRICULTURAL FORMULATIONS WITH ACYL MORPHOLINES AND POLAR APROTIC CO-SOLVENTS AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2011-12-01 WO claimed
CN-101863856-A Bi(4-methyl-1,2,3-thiadiazole-5-phenurone) compounds and preparation method and application thereof LIER CHEMICAL CO LTD 2010-10-20 CN claimed
CN-101199274-A Bactericide composition and method for controlling plant disease ISHIHARA SANGYO KAISHA (JP) 2008-06-18 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-10750740-B2 Agricultural formulations with amides and acyl morpholines H1-5, H1-0, ACSS2 EPHX1 2723/4885ALDH1A1 1111/4885SLC6A2 3304/4885
US-20140315718-A1 Agricultural formulations with amides and acyl morpholines H1-5, H1-0, ACSS2 EPHX1 2723/4885ALDH1A1 1111/4885SLC6A2 3304/4885
US-20130130908-A1 Agricultural Formulations with Acyl Morpholines and Polar Aprotic Co-Solvents ACSL5, ABHD5, AGPAT5 EPHX1 2793/4885ALDH1A1 2863/4885SLC6A2 2225/4885

“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.