SCHEMBL756945

SCHEMBL756945

CC(C)(C)CCCOC(=O)CCC(=O)NCCOCCN(C(C)(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MAPK1 P28482 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
SCHEMBL754502 0.94 CA12 (0.37) LMNAMEN1KMT2ASMN1; SMN2CA12
SCHEMBL754506 0.83 MAPK1 (0.36) LMNAKMT2ASMN1; SMN2CA1CA2
SCHEMBL756576 0.76 TDP1 (0.39) LMNAL3MBTL1ALDH1A1MAPK1
SCHEMBL29994442 0.66 LMNA (0.51) LMNAL3MBTL1TAAR1
SCHEMBL10312363 0.63 MAPK1 (0.50) LMNAKMT2ASMN1; SMN2CA12CA1
SCHEMBL25933085 0.62 SMN1; SMN2 (0.57) LMNASMN1; SMN2CYP3A4CYP2D6CYP2C19
SCHEMBL18101226 0.62 LMNA (0.57) LMNAMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL22629758 0.62 TSHR (0.43) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL15515951 0.61 SMN1; SMN2 (0.52) LMNASMN1; SMN2CA1CA2CA4
SCHEMBL22388817 0.61 AKT1 (0.43) LMNASMN1; SMN2

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-8138272-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-20080031848-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds ELAN PHARMACEUTICALS, INC. 2008-02-07 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-20080031848-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds PIGO, MANBA, OAT LMNA 1462/4885MEN1 34/4885KMT2A 552/4885

“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.