SCHEMBL5210865

SCHEMBL5210865

COc1cccc2c1CCC=C2CCCBr

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.60
ABCB1 P08183 2/20 0.60
PTGIR P43119 1/20 0.40
PTGDR Q13258 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
SCHEMBL14431503 0.86 SIGMAR1 (0.60) SIGMAR1ABCB1PTGIRPTGDR
SCHEMBL13185550 0.81 SIGMAR1 (0.53) SIGMAR1ABCB1PTGIRPTGDR
SCHEMBL5208400 0.78 SIGMAR1 (0.55) SIGMAR1ABCB1PTGIRPTGDR
Hydrochloric Acid SCHEMBL11079501 0.78 SIGMAR1 (0.51) SIGMAR1ABCB1PTGIRPTGDR
SCHEMBL17187820 0.77 SIGMAR1 (0.53) SIGMAR1ABCB1PTGIRPTGDR
SCHEMBL31332008 0.77 SIGMAR1 (0.53) SIGMAR1ABCB1PTGIRPTGDR
SCHEMBL5211925 0.77 SIGMAR1 (0.51) SIGMAR1ABCB1PTGIRPTGDR
SCHEMBL4780350 0.75 ABCB1 (0.84) SIGMAR1ABCB1
SCHEMBL14291716 0.75 ABCB1 (1.00) SIGMAR1ABCB1
SCHEMBL9164109 0.75 SIGMAR1 (1.00) SIGMAR1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1354879-B1 DIHYDRONAPHTHALENE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2007-08-15 EP disclosed
EP-1354879-B1 DIHYDRONAPHTHALENE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2007-08-15 EP disclosed
US-7220864-B2 Dihydronaphthalene derivative compounds and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-22 US disclosed
US-7220864-B2 Dihydronaphthalene derivative compounds and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-22 US disclosed
US-7220864-B2 Dihydronaphthalene derivative compounds and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-22 US disclosed
US-20060287304-A1 Dihydronaphthalene derivative compounds and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. 2006-12-21 US disclosed
EP-1726586-A1 Dihydronaphthalene derivative compounds and agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 EP disclosed
US-20040138213-A1 Dihydronaphthalene derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-07-15 US disclosed
EP-1354879-A1 DIHYDRONAPHTHALENE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-10-22 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-20060287304-A1 Dihydronaphthalene derivative compounds and agent comprising the derivative as active ingredient SREBF1, NR1H2, NR1H3 SIGMAR1 1017/4885ABCB1 561/4885PTGIR 376/4885
US-20040138213-A1 Dihydronaphthalene derivative compounds and drugs containing these compounds as the active ingredient SREBF1, NR1H2, NR1H3 SIGMAR1 542/4885ABCB1 225/4885PTGIR 384/4885

“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.