SCHEMBL104712

SCHEMBL104712

C/C=C/C(=O)N(CC)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP3A4 P08684 2/20 0.43
LMNA P02545 2/20 0.43
TRPM8 Q7Z2W7 2/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
PSMB5 P28074 2/20 0.36
PARP1 P09874 1/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
BCHE P06276 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
MAOB P27338 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 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
SCHEMBL104713 1.00 NPC1 (0.48) NPC1L3MBTL1CYP3A4LMNATRPM8
SCHEMBL9113596 0.86 CA12 (0.41) NPC1L3MBTL1CYP3A4LMNAPSMB5
SCHEMBL1395649 0.86 NPC1 (0.54) NPC1L3MBTL1CYP3A4LMNATRPM8
SCHEMBL1630772 0.86 NPC1 (0.54) NPC1L3MBTL1CYP3A4LMNATRPM8
SCHEMBL1022195 0.86 NPC1 (0.54) NPC1L3MBTL1CYP3A4LMNATRPM8
SCHEMBL280608 0.84 NPC1 (0.38) NPC1L3MBTL1CYP3A4LMNATRPM8
SCHEMBL17666080 0.84 NPC1 (0.42) NPC1L3MBTL1CYP3A4LMNATRPM8
SCHEMBL17666075 0.84 NPC1 (0.42) NPC1L3MBTL1CYP3A4LMNATRPM8
SCHEMBL9030004 0.83 NPC1 (0.44) NPC1L3MBTL1CYP3A4LMNATRPM8
SCHEMBL9030008 0.83 NPC1 (0.44) NPC1L3MBTL1CYP3A4LMNATRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4588833-A CARBON MONOXIDE, ALCOHOL OR AMINE, ACID, UNSATURATED AMIDE, COBALTCOMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1986-05-13 US claimed
CN-112334553-B Polyurethane composition with long processing time and high strength SIKA技术股份公司 2022-05-17 CN disclosed
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
EP-2558445-B1 INTERMEDIATES USEFUL FOR THE SYNTHESIS OF PYRROLOBENZODIAZEPINES MEDIMMUNE LTD (GB) 2017-03-22 EP disclosed
US-20150225332-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE IDEMITSU KOSAN CO., LTD. (JP) 2015-08-13 US disclosed
US-9102704-B2 Synthesis method and intermediates useful in the preparation of pyrrolobenzodiazepines SPIROGEN SARL (CH) 2015-08-11 US disclosed
US-20140275522-A1 SYNTHESIS METHOD AND INTERMEDIATES USEFUL IN THE PREPARATION OF PYRROLOBENZODIAZEPINES SPIROGEN SÁRL (CH) 2014-09-18 US disclosed
US-8829184-B2 Intermediates useful for the synthesis of pyrrolobenzodiazepines SPIROGEN SARL (CH) 2014-09-09 US disclosed
US-20140235894-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE IDEMITSU KOSAN CO., LTD. (JP) 2014-08-21 US disclosed
US-8748659-B2 Method for producing alpha,beta-unsaturated carboxylic acid-N,N-disubstituted amide and method for producing 3-alkoxycarboxylic acid-N,N-disubstituted amide IDEMITSU KOSAN CO., LTD. (JP) 2014-06-10 US disclosed
WO-1983000339-A1 HYDROGELS OF MODIFIED SOLUBILIZED COLLAGEN NAT PATENT DEV CORP (US) 1983-02-03 WO disclosed
WO-1982002716-A1 MODIFIED SYNTHETIC HYDROGELS NAT PATENT DEV CORP (US) 1982-08-19 WO disclosed
US-4306949-A WHEREIN A GAS IS INTRODUCED TO DILUTE THE OXYGEN CONCENTRATION AND PREVENT CORROSION OF THE CATHODE MONSANTO COMPANY (US) 1981-12-22 US disclosed
US-4209445-A FROM PIPERONAL AND A CROTONIC AMIDE IN PRESENCE OF QUATERNARY AMMONIUM OR PHOSPHONIUM HYDROXIDE OR CROWN ETHER METAL COMPLEX HAARMAN & REIMER GMBH (DE) 1980-06-24 US disclosed
US-4209446-A FROM PIPERONAL AND A CROTONIC AMIDE IN PRESENCE OF ALKALI METAL HYDROXIDE AND DIPOLAR APROTIC DILUENT HAARMAN & REIMER GMBH (DE) 1980-06-24 US disclosed
US-4207151-A Electrohydrodimerization process improvement and improved electrolyte recovery process MONSANTO COMPANY (US) 1980-06-10 US disclosed
US-4028201-A Electrolytic monocarboxylation of activated olefins MONSANTO COMPANY (US) 1977-06-07 US disclosed
US-4013524-A Electrolytic carboxylation and dimerization of olefins MONSANTO COMPANY (US) 1977-03-22 US disclosed
US-3966566-A Electrolytic hydrodimerization process improvement MONSANTO COMPANY (US) 1976-06-29 US disclosed
US-3960679-A Process for hydrodimerizing olefinic compounds MONSANTO COMPANY (US) 1976-06-01 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 (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-20150225332-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE FASN, NAAA, FAAH NPC1 478/4885L3MBTL1 4475/4885CYP3A4 1784/4885
US-20140235894-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE FASN, NAAA, FAAH NPC1 478/4885L3MBTL1 4475/4885CYP3A4 1784/4885
US-20140275522-A1 SYNTHESIS METHOD AND INTERMEDIATES USEFUL IN THE PREPARATION OF PYRROLOBENZODIAZEPINES ORC3, OXER1, SCO2 NPC1 2717/4885L3MBTL1 3680/4885CYP3A4 116/4885

“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.