SCHEMBL5026331

SCHEMBL5026331

CC(C)(C)OC(=O)CC1=CCC(=O)N(CC(=O)O)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 2/20 0.36
AGTR1 P30556 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
PTGES O14684 1/20 0.35
APEX1 P27695 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CCKBR P32239 1/20 0.35

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
SCHEMBL5025452 0.81 LMNA (0.47) ALDH1A1MEN1KMT2ARXFP1LMNA
SCHEMBL5030092 0.71 MEN1 (0.45) ALDH1A1MEN1KMT2ACCKBR
SCHEMBL5025458 0.69 MEN1 (0.43) MEN1KMT2ACCKBR
SCHEMBL8670183 0.69 SMN1; SMN2 (0.60) ALDH1A1MEN1KMT2AHDAC3HDAC1
SCHEMBL5879591 0.69 ITGB3 (0.49) CA12CA9
SCHEMBL30451962 0.68 CCKBR (0.41) ALDH1A1KMT2ALMNACCKBR
SCHEMBL5023976 0.68 ITGB3 (0.42) MEN1KMT2ACCKBR
SCHEMBL5026289 0.68 ITGB3 (0.42) MEN1KMT2ACCKBR
SCHEMBL5025707 0.68 ITGB3 (0.42) MEN1KMT2ACCKBR
SCHEMBL7091522 0.68 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AAGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 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 (1 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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B CA12 3178/4885CA9 3490/4885ALDH1A1 2222/4885

“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.