SCHEMBL12222166

SCHEMBL12222166

CC(C)(C)CN(CCN(CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)c1ccccc1)CC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ GSTO1 P78417 1/20 0.35
▸ AKT1 P31749 2/20 0.34
▸ NR1D1 P20393 4/20 0.34
▸ CASR P41180 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ CYP2D6 P10635 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ SCN2A Q99250 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
SCHEMBL437106 0.79 TDP1 (0.48) CYP2C19NR1D1LMNAALOX15TSHR
SCHEMBL13332454 0.76 ALDH1A1 (0.43) CYP2C19MEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL23130693 0.76 AKT1 (0.50) CYP2C19MEN1CYP3A4KMT2AAKT1
SCHEMBL8018235 0.76 AKT1 (0.50) CYP2C19MEN1CYP3A4KMT2AAKT1
SCHEMBL7570965 0.76 AKT1 (0.50) CYP2C19MEN1CYP3A4KMT2AAKT1
SCHEMBL13603880 0.76 TDP1 (0.41) CYP2C19MEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL7562431 0.75 AKT1 (0.49) CYP2C19MEN1CYP3A4KMT2AAKT1
SCHEMBL16087987 0.74 NR1D1 (0.32) NR1D1NR1H3
SCHEMBL28184171 0.74 GSTO1 (0.44) CYP2C19MEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL30915258 0.73 AKT1 (0.50) CYP2C19MEN1CYP3A4KMT2AAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8540966-B2 Contrast agents endowed with high relaxivity BRACCO IMAGING S.P.A. (IT) 2013-09-24 — — US disclosed
US-20110256067-A1 Contrast agents endowed with high relaxivity BRACCO IMAGING SPA (IT) 2011-10-20 — — 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-20110256067-A1 Contrast agents endowed with high relaxivity SLC40A1, SLC67A1, SLC19A1 CYP2C19 4045/4885MEN1 435/4885CYP3A4 3907/4885

“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.

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