SCHEMBL526993

SCHEMBL526993

NC1CCc2c(CCC(=O)O)cccc2C1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.55
DRD2 P14416 3/20 0.54
DRD3 P35462 3/20 0.54
HTR6 P50406 1/20 0.45
PLAU P00749 1/20 0.42
S1PR5 Q9H228 3/20 0.39
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38

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
Hydrochloric Acid SCHEMBL9255960 0.83 DRD2 (0.51) TBXA2RDRD2DRD3HTR6PLAU
SCHEMBL15078827 0.82 ALDH1A1 (0.55) TBXA2RDRD2DRD3HTR6
SCHEMBL1682787 0.80 DRD2 (0.56) TBXA2RDRD2DRD3HTR6PLAU
SCHEMBL2485216 0.80 DRD2 (0.56) TBXA2RDRD2DRD3HTR6PLAU
SCHEMBL7554445 0.79 DRD2 (0.63) DRD2DRD3HTR6PLAU
SCHEMBL24650333 0.79 S1PR5 (0.44) TBXA2RDRD2DRD3S1PR5PTGER1
SCHEMBL2486276 0.78 DRD2 (0.48) TBXA2RDRD2DRD3HTR6PLAU
SCHEMBL24650340 0.78 S1PR5 (0.41) TBXA2RDRD2DRD3S1PR5
Bromide SCHEMBL2482900 0.77 DRD2 (0.47) TBXA2RDRD2DRD3HTR6PLAU
SCHEMBL7772422 0.74 PTGIR (0.60) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927586-B2 Thromboxane A2 (TP) receptor antagonists THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-01-06 US disclosed
US-20130190370-A1 Novel Tetrahydronaphalene Antagonists to the Thromboxane A2 (TP) Receptor THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-07-25 US disclosed
US-20130165488-A1 Novel Thromboxane A2 (TP) Receptor Antagonists THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-06-27 US disclosed
WO-2012015944-A2 NOVEL TETRAHYDRONAPHALENE ANTAGONISTS TO THE THROMBOXANE A2 (TP) RECEPTOR THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-02-02 WO disclosed
EP-0648741-B1 1,2,3,4-Tetrahydronaphthalene, chroman and thiochroman derivatives as antithrombotic agents ADIR (FR) 1996-12-18 EP disclosed
EP-0648741-A1 1,2,3,4-Tetrahydronaphthalene, chroman and thiochroman derivatives as antithrombotic agents ADIR ET COMPAGNIE (FR) 1995-04-19 EP 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-20130190370-A1 Novel Tetrahydronaphalene Antagonists to the Thromboxane A2 (TP) Receptor TBXA2R, PTGIR, PTGFR TBXA2R 1/4885DRD2 1052/4885DRD3 1957/4885
US-20130165488-A1 Novel Thromboxane A2 (TP) Receptor Antagonists TBXA2R, TBXAS1, PTGIR TBXA2R 1/4885DRD2 676/4885DRD3 1277/4885

“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.