SCHEMBL498398

SCHEMBL498398

CCCCN(C(C)=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
CA1 P00915 4/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
ALDH1A1 P00352 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
CES1 P23141 2/20 0.34
KDM5A P29375 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
CES2 O00748 1/20 0.33
TP53 P04637 1/20 0.33
MLYCD O95822 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL16297556 0.93 EPHX2 (0.47) EPHX2CA1ALDH1A1CES1KDM5A
SCHEMBL12512504 0.91 EPHX2 (0.50) EPHX2CES1KDM5AKDM4CCES2
SCHEMBL497808 0.86 CA12 (0.36) EPHX2CA1CA12CA9ALDH1A1
SCHEMBL12228040 0.84 EPHX2 (0.41) EPHX2CA1CA12CA9ALDH1A1
SCHEMBL8630908 0.84 CA1 (0.39) EPHX2CA1CA12CA9ALDH1A1
SCHEMBL498397 0.84 EPHX2 (0.41) EPHX2CA1CA12CA9ALDH1A1
SCHEMBL7930800 0.83 CHRM1 (0.35) ALDH1A1
SCHEMBL498290 0.83 CA1 (0.38) EPHX2CA1CA12CA9ALDH1A1
SCHEMBL1758802 0.82 EPHX2 (0.45) EPHX2CA1CA12CA9ALDH1A1
SCHEMBL30859297 0.81 CA12 (0.36) EPHX2CA1CA12CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4697957-A1 COMPOSITION COMPRISING AN ANTIMICROBIAL AGENT AND AN ALKOXYLATED AMINE BASF SE (DE) 2026-02-25 EP disclosed
WO-2024218124-A1 COMPOSITION COMPRISING AN ANTIMICROBIAL AGENT AND AN ALKOXYLATED AMINE BASF SE (DE) 2024-10-24 WO disclosed
US-10669241-B2 PTEN binding compounds, formulations, and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2020-06-02 US disclosed
US-20190161450-A1 PTEN BINDING COMPOUNDS, FORMULATIONS, AND USES THEREOF UNIVERSITY OF SOUTH FLORIDA (US) 2019-05-30 US disclosed
EP-2157084-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA CO (JP) 2013-05-22 EP disclosed
US-8106053-B2 5-phenyl-3-pyridazinone derivative KOWA COMPANY, LTD. 2012-01-31 US disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA COMPANY, LTD. (JP) 2010-08-05 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
EP-2157084-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-02-24 EP disclosed
EP-1272476-A1 2-PHENYL-2H-PYRIDAZINE-3-ONES BASF AKTIENGESELLSCHAFT (DE) 2003-01-08 EP disclosed
WO-2001079183-A1 2-PHENYL-2H-PYRIDAZINE-3-ONES BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 WO disclosed
WO-2001079182-A1 2-PHENYL-2H-PYRIDAZINE-3-ONES BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 WO disclosed
US-6165944-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
EP-0777658-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO 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-10669241-B2 PTEN binding compounds, formulations, and uses thereof PTEN, EYA2, PIK3CA EPHX2 4690/4885CA1 4775/4885CA12 4549/4885
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE SERPINE1, MMP1, PLAT EPHX2 3331/4885CA1 2852/4885CA12 4603/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI EPHX2 3893/4885CA1 1836/4885CA12 4035/4885
US-20190161450-A1 PTEN BINDING COMPOUNDS, FORMULATIONS, AND USES THEREOF PTEN, EYA2, PIK3CA EPHX2 4690/4885CA1 4775/4885CA12 4549/4885

“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.