SCHEMBL16218019

SCHEMBL16218019

CCOC(=O)C(Cc1c(C)cccc1C)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
MMP8 P22894 1/20 0.47
TSHR P16473 4/20 0.43
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TP53 P04637 1/20 0.43
PIN1 Q13526 1/20 0.42
NLRP3 Q96P20 2/20 0.42
CYP1A2 P05177 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL27675955 0.83 L3MBTL1 (0.51) TDP1TSHRMAPK1L3MBTL1ALDH1A1
SCHEMBL4035939 0.82 MMP8 (0.49) TDP1MMP8TSHRMAPK1L3MBTL1
SCHEMBL5736978 0.82 KMT2A (0.50) TDP1MMP8TSHRMAPK1L3MBTL1
SCHEMBL9054624 0.81 TDP1 (0.47) TDP1MMP8TSHRMAPK1L3MBTL1
SCHEMBL12306711 0.80 TDP1 (0.53) TDP1MMP8TSHRALDH1A1TP53
SCHEMBL1030509 0.78 TDP1 (0.44) TDP1MMP8TSHRMAPK1L3MBTL1
SCHEMBL18917606 0.78 MMP8 (0.59) TDP1MMP8TSHRMAPK1L3MBTL1
SCHEMBL19502670 0.77 MMP8 (0.54) TDP1MMP8TSHRALDH1A1TP53
SCHEMBL1312803 0.76 MMP8 (0.62) TDP1MMP8TSHRMAPK1L3MBTL1
SCHEMBL5737042 0.76 KMT2A (0.48) TDP1MMP8TSHRMAPK1L3MBTL1

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-9012457-B2 2-carboxamide-4-piperazinyl-benzofuran derivative ASTRAZENECA AB (SE) 2015-04-21 US disclosed
US-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE ASTRAZENECA AB (SE) 2014-11-06 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-20140329830-A1 2-CARBOXAMIDE-4-PIPERAZINYL-BENZOFURAN DERIVATIVE GRIN2C, BDNF, GRIN2A TDP1 2367/4885MMP8 4309/4885TSHR 4306/4885

“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.