SCHEMBL12092153

SCHEMBL12092153

C=CCOC(=O)COCCOCCNC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
ADRB2 P07550 1/20 0.43
HTR1A P08908 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
IDO1 P14902 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
BCHE P06276 1/20 0.35
CNR2 P34972 1/20 0.35
EPHX1 P07099 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
EGFR P00533 1/20 0.34
ITK Q08881 1/20 0.34

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
SCHEMBL25417149 0.90 ADRB2 (0.43) TDP1ADRB2HTR1ASMN1; SMN2CA12
SCHEMBL12092147 0.90 ADRB2 (0.43) TDP1ADRB2HTR1ASMN1; SMN2CA12
SCHEMBL12079730 0.90 ADRB2 (0.43) TDP1ADRB2HTR1ASMN1; SMN2CA12
SCHEMBL25416810 0.90 ADRB2 (0.43) TDP1ADRB2HTR1ASMN1; SMN2CA12
SCHEMBL31249829 0.88 CA12 (0.40) TDP1ADRB2HTR1ACA12CA1
SCHEMBL25657888 0.88 ADRB2 (0.44) TDP1ADRB2HTR1ASMN1; SMN2CA12
SCHEMBL31060108 0.87 TSHR (0.43) TDP1ADRB2HTR1ASMN1; SMN2CA12
SCHEMBL30980669 0.86 ADRB2 (0.47) TDP1ADRB2HTR1ASMN1; SMN2CA12
SCHEMBL23728637 0.86 ADRB2 (0.47) TDP1ADRB2HTR1ASMN1; SMN2CA12
SCHEMBL21106804 0.86 ADRB2 (0.47) TDP1ADRB2HTR1ASMN1; SMN2CA12

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-8952147-B2 Conjugates, preparation thereof, and therapeutic use thereof SANOFI (FR) 2015-02-10 US disclosed
US-20120225089-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-09-06 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-20120225089-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF ERG28, CARS1, FOLH1 TDP1 3206/4885ADRB2 4705/4885HTR1A 4483/4885

“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.