SCHEMBL78964

SCHEMBL78964

BrCCCC1CCCc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.54
CYP19A1 P11511 1/20 0.51
TBXAS1 P24557 1/20 0.51

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
SCHEMBL10551218 0.90 CYP19A1 (0.54) SIGMAR1CYP19A1TBXAS1
SCHEMBL19358515 0.90 BCHE (0.50) SIGMAR1
SCHEMBL9014682 0.85 SIGMAR1 (0.49) SIGMAR1CYP19A1TBXAS1
SCHEMBL80413 0.85 SIGMAR1 (0.56) SIGMAR1CYP19A1TBXAS1
SCHEMBL3299662 0.83 SIGMAR1 (0.54) SIGMAR1CYP19A1TBXAS1
SCHEMBL29406029 0.83 SIGMAR1 (0.54) SIGMAR1CYP19A1TBXAS1
SCHEMBL16034237 0.82 CYP19A1 (0.49) SIGMAR1CYP19A1TBXAS1
SCHEMBL6689910 0.82 SIGMAR1 (0.55) SIGMAR1CYP19A1TBXAS1
SCHEMBL7585235 0.82 SIGMAR1 (0.55) SIGMAR1CYP19A1TBXAS1
SCHEMBL30364914 0.82 SIGMAR1 (0.55) SIGMAR1CYP19A1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
WO-2008017588-A1 VERAPAMIL ANALOGUES WITH INHIBITION ACTIVITY ON ABC (ATP BINDING CASSETTE) CELL EXTRUSION PUMPS ISTITUTO TUMORI 'Giovanni Paolo II' IRCCS - Laboratorio di Oncologia Sperimentale Clinica (IT) 2008-02-14 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 (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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C SIGMAR1 2080/4885CYP19A1 743/4885TBXAS1 1530/4885

“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.