SCHEMBL328029

SCHEMBL328029

CC(=O)CCN(C)CCC(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PAOX Q6QHF9 1/20 0.32
CHRM1 P11229 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
SLC15A2 Q16348 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
SCHEMBL11912053 0.83 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1PAOXCHRM1
SCHEMBL13588704 0.83 KMT2A (0.39) KMT2AMEN1
SCHEMBL12602742 0.81 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1PAOXCHRM1
SCHEMBL25129630 0.79 KMT2A (0.36) KMT2AMEN1
SCHEMBL19699903 0.78 KMT2A (0.39) KMT2AMEN1ALDH1A1PAOXCHRM1
SCHEMBL12249905 0.78 KMT2A (0.35) KMT2AMEN1
SCHEMBL25129700 0.78 KMT2A (0.35) KMT2AMEN1
SCHEMBL668762 0.77 UBE2N (0.41) PAOXCHRM1
SCHEMBL888729 0.76 ALDH1A1 (0.59) ALDH1A1PAOXCHRM1TDP1LMNA
SCHEMBL25663959 0.76 PIK3CD (0.45) KMT2AMEN1ALDH1A1PAOXCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133472-B2 Cyclopeptides containing RGD mimetics as imaging markers for integrins SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-03-13 US disclosed
US-20100074844-A1 Cyclopeptides Containing RGD Mimetics As Imaging Markers For Integrins SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-03-25 US disclosed
US-7666392-B2 Click chemistry-derived cyclopeptide derivatives as imaging agents for integrins SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-02-23 US disclosed
US-20080213175-A1 Click chemistry-derived cyclic peptidomimetics as integrin markers SIEMENS MEDICAL SOLUTIONS USA, INC. 2008-09-04 US disclosed
US-20080170992-A1 Click chemistry-derived cyclopeptide derivatives as imaging agents for integrins SIEMENS MEDICAL SOLUTIONS USA, INC. 2008-07-17 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-20100074844-A1 Cyclopeptides Containing RGD Mimetics As Imaging Markers For Integrins ITGB3, ITGAV, ITGB1 KMT2A 4849/4885MEN1 2076/4885ALDH1A1 4178/4885
US-20080213175-A1 Click chemistry-derived cyclic peptidomimetics as integrin markers ITGB1, ITGAM, ITGB3 KMT2A 4133/4885MEN1 787/4885ALDH1A1 2416/4885
US-20080170992-A1 Click chemistry-derived cyclopeptide derivatives as imaging agents for integrins ITGB3, VCAM1, ITGB1 KMT2A 4819/4885MEN1 1187/4885ALDH1A1 3523/4885

“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.