SCHEMBL3474501

SCHEMBL3474501

CC(C)(C)OC(=O)NCCCCCC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
CYP3A4 P08684 1/20 0.47
TPSAB1 Q15661 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
DRD2 P14416 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MAN2B1 O00754 1/20 0.42
HDAC8 Q9BY41 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 1/20 0.40
PLK1 P53350 1/20 0.40

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
SCHEMBL22402873 1.00 TDP1 (0.47) TDP1CYP3A4TPSAB1TPSD1TPSG1
SCHEMBL7612049 0.95 TDP1 (0.51) TDP1CYP3A4TPSAB1TPSD1TPSG1
SCHEMBL22431353 0.95 TDP1 (0.51) TDP1CYP3A4TPSAB1TPSD1TPSG1
SCHEMBL17381378 0.95 TDP1 (0.51) TDP1CYP3A4TPSAB1TPSD1TPSG1
SCHEMBL337313 0.95 TDP1 (0.51) TDP1CYP3A4TPSAB1TPSD1TPSG1
SCHEMBL17468120 0.94 TDP1 (0.49) TDP1CYP3A4TPSAB1TPSD1TPSG1
SCHEMBL10071724 0.93 CA1 (0.42) TDP1CYP3A4TPSAB1TPSD1TPSG1
SCHEMBL13497900 0.92 CYP3A4 (0.43) TDP1CYP3A4TPSAB1TPSD1TPSG1
SCHEMBL3402806 0.90 TDP1 (0.47) TDP1TPSAB1TPSD1TPSG1SMN1; SMN2
SCHEMBL10071072 0.88 KDM4E (0.41) TDP1HPGDHTTSMN1; SMN2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9766235-B2 Trifunctional crosslinking reagents ETH ZURICH (CH) 2017-09-19 US disclosed
EP-2670755-B1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH ZUERICH (CH) 2016-10-12 EP disclosed
EP-2942351-B1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH ZUERICH (CH) 2016-10-12 EP disclosed
EP-2942351-A1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH Zurich (CH) 2015-11-11 EP disclosed
US-20140011212-A1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH ZURICH (CH) 2014-01-09 US disclosed
US-20100048890-A1 CONJUGATED SMALL MOLECULES DISCOVERX CORPORATION 2010-02-25 US disclosed
US-20100048890-A1 CONJUGATED SMALL MOLECULES DISCOVERX CORPORATION 2010-02-25 US disclosed
US-20100048890-A1 CONJUGATED SMALL MOLECULES DISCOVERX CORPORATION 2010-02-25 US disclosed
US-20050153371-A1 Conjugated small molecules AMBIT BIOSCIENCES CORPORATION 2005-07-14 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 (2 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-20100048890-A1 CONJUGATED SMALL MOLECULES ERBB2, ALK, ACP1 TDP1 3880/4885CYP3A4 4556/4885TPSAB1 3269/4885
US-20050153371-A1 Conjugated small molecules ERBB2, ALK, ACP1 TDP1 3880/4885CYP3A4 4556/4885TPSAB1 3269/4885

“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.