SCHEMBL2444342

SCHEMBL2444342

CCC(C)(CC)C(=O)OCCO

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
TSHR P16473 2/20 0.37
PRKCA P17252 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MGLL Q99685 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHRM2 P08172 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL2754865 0.91 PRKCA (0.36) ACHECYP4F2CYP4A11TSHRPRKCA
SCHEMBL13785298 0.88 ALDH1A1 (0.36) ACHECYP4F2CYP4A11TSHRPRKCA
SCHEMBL23344902 0.88 MEN1 (0.42) CYP4F2CYP4A11TSHRPRKCAALDH1A1
SCHEMBL21574923 0.88 ACHE (0.34) ACHECYP4F2CYP4A11TSHRPRKCA
SCHEMBL12238113 0.88 CYP4F2 (0.37) ACHECYP4F2CYP4A11TSHRPRKCA
SCHEMBL25697373 0.87 CYP4F2 (0.43) ACHECYP4F2CYP4A11TSHRPRKCA
SCHEMBL10017774 0.86 TSHR (0.43) ACHECYP4F2CYP4A11TSHRPRKCA
SCHEMBL20244543 0.85 ACHE (0.33) ACHECYP4F2CYP4A11TSHRGAA
SCHEMBL18373345 0.84 CYP4F2 (0.33) ACHECYP4F2CYP4A11TSHRCHRM2
SCHEMBL28731535 0.84 TSHR (0.38) ACHECYP4F2CYP4A11TSHRPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481976-B1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2012-11-07 EP disclosed
US-8026273-B2 8-azaprostaglandin derivative compound and agent comprising the compound as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-09-27 US disclosed
US-20100113388-A1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUND AND AGENT COMPRISING THE COMPOUND AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2010-05-06 US disclosed
US-20100098761-A1 Polymer Compositions For Biomedical And Material Applications UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL 2010-04-22 US disclosed
US-7683094-B2 8-azaprostaglandin derivative compound and agent comprising the compound as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2010-03-23 US disclosed
US-20090042885-A1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUND AND AGENT COMPRISING THE COMPOUND AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2009-02-12 US disclosed
US-7402605-B2 8-azaprostaglandin derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-22 US disclosed
US-20050124577-A1 8-Azaprostaglandin derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-09 US disclosed
EP-1481976-A1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-12-01 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 (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-20050124577-A1 8-Azaprostaglandin derivative compounds and drugs containing the compounds as the active ingredient PTGER2, PTGIS, HPGDS ACHE 1166/4885CYP4F2 489/4885CYP4A11 215/4885
US-20090042885-A1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUND AND AGENT COMPRISING THE COMPOUND AS ACTIVE INGREDIENT PTGER2, PTGIS, HPGDS ACHE 926/4885CYP4F2 712/4885CYP4A11 225/4885
US-20100113388-A1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUND AND AGENT COMPRISING THE COMPOUND AS ACTIVE INGREDIENT PTGER2, PTGIS, HPGDS ACHE 926/4885CYP4F2 712/4885CYP4A11 225/4885
US-20100098761-A1 Polymer Compositions For Biomedical And Material Applications ILK, ECPAS, PTH1R ACHE 1525/4885CYP4F2 4447/4885CYP4A11 4854/4885

“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.