SCHEMBL6728943

SCHEMBL6728943

CC(C)CC(C)NC([O])=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
RNPEP Q9H4A4 1/20 0.37
SLC7A5 Q01650 1/20 0.37
MAPT P10636 1/20 0.36
CPA1 P15085 1/20 0.34
FOLH1 Q04609 2/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 2/20 0.34
MME P08473 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 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
SCHEMBL16351261 0.81 ALDH1A1 (0.50) MLYCDALDH1A1MEN1LMNAKMT2A
SCHEMBL8150869 0.79 ALDH1A1 (0.58) MLYCDALDH1A1MEN1LMNAKMT2A
SCHEMBL17640940 0.79 ALDH1A1 (0.58) MLYCDALDH1A1MEN1LMNAKMT2A
SCHEMBL6728949 0.79 ALDH1A1 (0.46) MLYCDALDH1A1MEN1LMNAKMT2A
SCHEMBL8365133 0.79 ALDH1A1 (0.58) MLYCDALDH1A1MEN1LMNAKMT2A
SCHEMBL8436466 0.77 MLYCD (0.41) MLYCDALDH1A1MEN1LMNAKMT2A
SCHEMBL12676486 0.77 MLYCD (0.41) MLYCDALDH1A1MEN1LMNAKMT2A
SCHEMBL9555383 0.77 SLC7A5 (0.41) MLYCDALDH1A1MEN1LMNAKMT2A
SCHEMBL20046812 0.77 MLYCD (0.41) MLYCDALDH1A1MEN1LMNAKMT2A
SCHEMBL27782411 0.77 SLC7A5 (0.41) MLYCDALDH1A1MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6639070-B1 4-substituted 1,3,4-oxadiazines; herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
EP-1187819-B1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AG (DE) 2003-07-23 EP disclosed
EP-1315733-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-06-04 EP disclosed
CN-1364161-A N-substituted perhydrodiazines BASF AG (DE) 2002-08-14 CN disclosed
CN-1362950-A Substituted ureas BASF AG (DE) 2002-08-07 CN disclosed
EP-1218350-A1 1-ARYL-1,3-DIHYDRO-IMIDAZOL-2-(THI)ONE DERIVATIVES, PRODUCTION OF SAID COMPOUND AND USE AS A DESSICATING/DEFOLIATING AGENT FOR PLANTS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP disclosed
EP-1187819-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
WO-2002020531-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2002-03-14 WO disclosed
US-20010031865-A1 Substituted 3-phenyluracils KLINTZ RALF (DE) 2001-10-18 US disclosed
WO-2001000600-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
EP-0971904-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 EP disclosed
US-5843983-A Diphenylethane compounds containing a saturated heterocyclic group, their preparation, and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1998-12-01 US disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
EP-0790235-A1 Diaryl alkane derivatives containing an alicyclic group, their preparation and their therapeutic and prophylactic uses SANKYO COMPANY LIMITED (JP) 1997-08-20 EP disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
EP-0604491-A1 SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES BASF Aktiengesellschaft (DE) 1994-07-06 EP disclosed
WO-1993006090-A1 SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-04-01 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 (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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 MLYCD 1708/4885ALDH1A1 709/4885MEN1 4291/4885
US-20010031865-A1 Substituted 3-phenyluracils CCR1, CCR6, CCR3 MLYCD 954/4885ALDH1A1 1864/4885MEN1 2721/4885

“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.