SCHEMBL2583778

SCHEMBL2583778

CCC(C(=O)O)C(CI)CI

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
GLO1 Q04760 1/20 0.31
FFAR3 O14843 1/20 0.30

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
SCHEMBL4618656 0.81 TDP1 (0.43) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL9098045 0.78 TDP1 (0.37) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL10778722 0.78 TDP1 (0.37) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL606592 0.78 TDP1 (0.37) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL606593 0.78 TDP1 (0.37) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1604267 0.78 TDP1 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL13761133 0.78 TDP1 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4756190 0.78 TDP1 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL20838339 0.77 TDP1 (0.40) TDP1CHRM1AKR1A1CHRM3HTR2A
Ethane SCHEMBL8713495 0.76 TDP1 (0.36) TDP1CHRM1AKR1A1CHRM3HTR2A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269943-A1 RADIOLABELED ANNEXINS UNIVERSITY OF WASHINGTON (US) 2011-11-03 US disclosed
US-7744853-B2 Radiolabeled annexins PONIARD PHARMACEUTICALS, INC. (US) 2010-06-29 US disclosed
US-7115248-B2 Radiolabeled annexins NEORX CORPORATION (US) 2006-10-03 US disclosed
US-20060029545-A1 Radiolabeled annexins NEORX CORPORATION, REGENTS OF THE UNIVERSITY OF MICHIGAN 2006-02-09 US disclosed
US-20050036948-A1 Radiolabeled annexins NEORX CORPORATION (US) 2005-02-17 US disclosed
EP-1486509-A2 Radiolabeled annexin-galactose cluster conjugates NEORX CORPORATION (US) 2004-12-15 EP disclosed
EP-0799050-B1 RADIOLABELED ANNEXIN-GALACTOSE CLUSTER CONJUGATES NEORX CORP (US) 2004-08-11 EP disclosed
EP-1426062-A2 Radiolabeled annexins NEORX CORPORATION (US) 2004-06-09 EP disclosed
EP-0918547-B1 RADIOLABELED ANNEXINS NEORX CORP (US) 2004-03-10 EP disclosed
US-20030220233-A1 Radiolabeled annexins NEORX CORPORATION 2003-11-27 US disclosed
EP-0918547-A2 RADIOLABELED ANNEXINS NEORX CORPORATION (US) 1999-06-02 EP disclosed
US-5886143-A Hepatic-directed compounds and reagents for preparation thereof NEORX CORPORATION (US) 1999-03-23 US disclosed
EP-0799050-A4 RADIOLABELED ANNEXIN-GALACTOSE CLUSTER CONJUGATES NEORX CORP (US) 1998-06-03 EP disclosed
WO-1998004294-A2 RADIOLABELED ANNEXINS NEORX CORPORATION (US) 1998-02-05 WO disclosed
EP-0799050-A1 RADIOLABELED ANNEXIN-GALACTOSE CLUSTER CONJUGATES NEORX CORPORATION (US) 1997-10-08 EP disclosed
EP-0794788-A1 HEPATIC-DIRECTED COMPOUNDS AND REAGENTS FOR PREPARATION THEREOF NEORX CORPORATION (US) 1997-09-17 EP disclosed
EP-0759913-A1 AROMATIC AMINE SUBSTITUTED BRIDGED NITROGEN AND SULFUR DONOR ATOM LIGANDS FOR IMAGING NEORX CORPORATION (US) 1997-03-05 EP disclosed
WO-1996017613-A1 HEPATIC-DIRECTED COMPOUNDS AND REAGENTS FOR PREPARATION THEREOF NEORX CORPORATION (US) 1996-06-13 WO disclosed
WO-1996017618-A1 RADIOLABELED ANNEXIN-GALACTOSE CLUSTER CONJUGATES NEORX CORPORATION (US) 1996-06-13 WO disclosed
WO-1995032192-A1 AROMATIC AMINE SUBSTITUTED BRIDGED NITROGEN AND SULFUR DONOR ATOM LIGANDS FOR IMAGING NEORX CORPORATION (US) 1995-11-30 WO 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 (4 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-20060029545-A1 Radiolabeled annexins ANXA11, ANXA1, ANXA3 TDP1 1659/4885CHRM1 4434/4885AKR1A1 3551/4885
US-20050036948-A1 Radiolabeled annexins ANXA11, ANXA1, ANXA3 TDP1 1659/4885CHRM1 4434/4885AKR1A1 3551/4885
US-20110269943-A1 RADIOLABELED ANNEXINS ANXA11, ANXA1, ANXA3 TDP1 1659/4885CHRM1 4434/4885AKR1A1 3551/4885
US-20030220233-A1 Radiolabeled annexins ANXA11, ANXA1, ANXA3 TDP1 1659/4885CHRM1 4434/4885AKR1A1 3551/4885

“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.