SCHEMBL4299737

SCHEMBL4299737

CCN(CC)CCOc1cccc(C(=O)O)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.70
ESR1 P03372 7/20 0.70
MEN1 O00255 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KDM4E B2RXH2 2/20 0.57
TSHR P16473 1/20 0.57
PLA2G4B P0C869 1/20 0.56
NR1H4 Q96RI1 3/20 0.55
NR4A2 P43354 1/20 0.54
MAOB P27338 1/20 0.53
KCNH2 Q12809 2/20 0.52
EBP Q15125 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
CHRM2 P08172 2/20 0.52
ADRA2A P08913 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
CHRM1 P11229 2/20 0.52
PTGS1 P23219 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52

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
SCHEMBL11807845 0.90 ESR1 (0.67) KMT2AESR1MEN1SMN1; SMN2KDM4E
SCHEMBL30969284 0.87 ESR1 (0.64) KMT2AESR1MEN1SMN1; SMN2KDM4E
SCHEMBL385603 0.86 KMT2A (0.66) KMT2AESR1MEN1SMN1; SMN2KDM4E
SCHEMBL6623073 0.85 KMT2A (0.69) KMT2AESR1SMN1; SMN2KDM4EPLA2G4B
SCHEMBL8092814 0.84 BCHE (0.56) KMT2AESR1KDM4EMAOBKCNH2
Hydrochloric Acid SCHEMBL8702528 0.84 KMT2A (0.68) KMT2AESR1SMN1; SMN2KDM4EPLA2G4B
SCHEMBL4501041 0.84 KMT2A (0.68) KMT2AESR1KDM4EPLA2G4BNR1H4
SCHEMBL5720732 0.83 NR4A2 (0.62) KMT2AESR1NR1H4NR4A2MAOB
SCHEMBL609434 0.83 KMT2A (1.00) KMT2ASMN1; SMN2PLA2G4BNR1H4NR4A2
SCHEMBL11729219 0.82 ESR1 (0.59) KMT2AESR1MEN1SMN1; SMN2KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560480-B2 Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-14 US disclosed
US-7262206-B2 Cycloalkyl—containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-28 US disclosed
US-7176231-B2 Aryl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-13 US disclosed
US-20050234120-A1 Aryl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US disclosed
US-20050209302-A1 Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 US disclosed
US-20050203104-A1 Cycloalkyl - containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 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-20050234120-A1 Aryl-containing 5-acylindolinones, the preparation thereof and their use as medicaments GSK3B, GSK3A, CSNK2A3 KMT2A 1915/4885ESR1 2814/4885MEN1 4203/4885
US-20050203104-A1 Cycloalkyl - containing 5-acylindolinones, the preparation thereof and their use as medicaments GSK3B, GSK3A, CSNK1G3 KMT2A 3201/4885ESR1 4478/4885MEN1 4135/4885
US-20050209302-A1 Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments GSK3A, GSK3B, PYGL KMT2A 2142/4885ESR1 3360/4885MEN1 3734/4885

“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.