SCHEMBL5208400

SCHEMBL5208400

COc1cccc2c1CCC=C2CCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.55
ABCB1 P08183 1/20 0.52
PTGIR P43119 2/20 0.51
PTGDR Q13258 1/20 0.51
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
RXRA P19793 1/20 0.40
TP53 P04637 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
SCHEMBL5211828 0.81 PTGIR (0.44) SIGMAR1PTGIRPTGDRFFAR1
SCHEMBL13185550 0.79 SIGMAR1 (0.53) SIGMAR1ABCB1PTGIRPTGDRLMNA
SCHEMBL5210865 0.78 SIGMAR1 (0.60) SIGMAR1ABCB1PTGIRPTGDR
SCHEMBL14431503 0.78 SIGMAR1 (0.60) SIGMAR1ABCB1PTGIRPTGDR
SCHEMBL7849963 0.77 NPC1 (0.49) SIGMAR1ABCB1LMNANPC1RAB9A
SCHEMBL5211925 0.77 SIGMAR1 (0.51) SIGMAR1ABCB1PTGIRPTGDRLMNA
SCHEMBL12086775 0.77 SIGMAR1 (0.45) SIGMAR1ABCB1PTGIRPTGDRLMNA
SCHEMBL14503082 0.77 PTGIR (0.47) SIGMAR1PTGIRPTGDRRXRA
SCHEMBL14503020 0.77 PTGIR (0.49) PTGIRPTGDRRXRA
Hydrochloric Acid SCHEMBL11079501 0.76 SIGMAR1 (0.51) SIGMAR1ABCB1PTGIRPTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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.