SCHEMBL300071

SCHEMBL300071

C=CCN1CC(=O)N(CC=C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.34
CASP3 P42574 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32

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
SCHEMBL11454957 0.86 CYP3A4 (0.34) CYP3A4MAPTL3MBTL1POLBLMNA
SCHEMBL21592105 0.83 MAPT (0.36) CYP3A4MAPTL3MBTL1POLBALDH1A1
SCHEMBL21880064 0.82 MMP7 (0.32) CYP3A4MAPTL3MBTL1LMNAHDAC6
SCHEMBL5139880 0.82
SCHEMBL14226943 0.81 MGLL (0.36) MAPTL3MBTL1KDM4EMEN1KMT2A
SCHEMBL14226946 0.81 CYP3A4 (0.31) CYP3A4
SCHEMBL9560004 0.80 MAPT (0.39) CYP3A4MAPTL3MBTL1POLBALDH1A1
SCHEMBL9836861 0.80 CYP3A4 (0.46) CYP3A4MAPTL3MBTL1POLBALDH1A1
SCHEMBL9879851 0.79 MGLL (0.41) MAPTALDH1A1HDAC6
SCHEMBL5139425 0.79 TP53 (0.39) CYP3A4MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11155745-B2 Composition and method for scavenging sulfides and mercaptans CLARIANT INTERNATIONAL LTD. (CH) 2021-10-26 US claimed
EP-3263145-B1 ANTIMICROBIAL COMPOSITIONS AND METHODS FOR LOCKING CATHETERS BECTON DICKINSON CO (US) 2021-01-20 EP claimed
EP-3294831-B1 COMPOSITION AND METHOD FOR SCAVENGING SULFIDES AND MERCAPTANS CLARIANT INT LTD (CH) 2020-12-02 EP claimed
US-10836660-B2 Method and composition for use in the cyclic process for the efficient generation of chlorine dioxide in dilute solutions TRUOX, INC. (US) 2020-11-17 US claimed
US-10766797-B2 Method and composition for use in the cyclic process for the efficient generation of chlorine dioxide in dilute solutions TRUOX, INC. (US) 2020-09-08 US claimed
US-20200189944-A1 Method and composition for use in the cyclic process for the effeicient generation of chlorine dioxide in dilute solutions TRUOX, INC. (US) 2020-06-18 US claimed
US-20190194047-A1 Method and composition for use in the cyclic process for the efficient generation of chlorine dioxide in dilute solutions TRUOX, INC. (US) 2019-06-27 US claimed
US-20180100096-A1 COMPOSITION AND METHOD FOR SCAVENGING SULFIDES AND MERCAPTANS CLARIANT INTERNATIONAL, LTD. (CH) 2018-04-12 US claimed
EP-3294831-A1 COMPOSITION AND METHOD FOR SCAVENGING SULFIDES AND MERCAPTANS Clariant International Ltd (CH) 2018-03-21 EP claimed
US-9872941-B2 Antimicrobial compositions and methods for locking catheters BECTON, DICKINSON AND COMPANY (US) 2018-01-23 US claimed
US-5130325-A Bactericides, fungicides or algicides GREAT LAKES CHEMICAL CORPORATION (US) 1992-07-14 US claimed
US-4434071-A 1,3-Dibromo dialkylhydantoin and olefin oligomer reaction product as a catalyst for preparing alkenyl dicarboxylic acid anhydride TEXACO INC. (US) 1984-02-28 US claimed
US-4070320-A 5,5-DIALKYLHYDANTOIN, FORMALDEHYDE, UREA OR DIAMINE DEUTSCHE TEXACO AKTIENGESELLSCHAFT (DT) 1978-01-24 US claimed
US-4070317-A 5,5-DIALKYLHYDANTOIN, FORMALDEHYDE, SALICYLIC ACID AMIDE DEUTSCHE TEXACO AKTIENGESELLSCHAFT (DT) 1978-01-24 US claimed
US-4035326-A METHYLOLATED 5,5-DIALKYLHYDANTOIN, UREA DEUTSCHE TEXACO AKTIENGESELLSCHAFT (DT) 1977-07-12 US claimed
US-4035358-A METHYLOLATED 5,5-DIALKYLHYDANTOIN, SALICYLIC ACID AMIDE DEUTSCHE TEXACO AKTIENGESELLSCHAFT (DT) 1977-07-12 US claimed
US-4035327-A METHYLOLATED 5,5-DIALKYLHYDANTOIN, UREA DEUTSCHE TEXACO AKTIENGESELLSCHAFT (DT) 1977-07-12 US claimed
US-4035339-A METHYLOLATED 5,5-DIALKYLHYDANTOIN, DIAMINE DEUTSCHE TEXACO AKTIENGESELLSCHAFT (DT) 1977-07-12 US claimed
US-4035432-A AEROSOLS, HAIR SPRAYS DEUTSCHE TEXACO AKTIENGESELLSCHAFT (DT) 1977-07-12 US claimed
US-3987010-A FROM METHYLOLATED 5,5-DIALKYL-HYDANTOIN DEUTSCHE TEXACO AKTIENGESELLSCHAFT (DT) 1976-10-19 US 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 (2 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-20180100096-A1 COMPOSITION AND METHOD FOR SCAVENGING SULFIDES AND MERCAPTANS SOD1, TST, SGMS2 CYP3A4 1840/4885MAPT 2283/4885L3MBTL1 2496/4885
US-11155745-B2 Composition and method for scavenging sulfides and mercaptans SOD1, TST, SGMS2 CYP3A4 1840/4885MAPT 2283/4885L3MBTL1 2496/4885

“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.