SCHEMBL3867489

SCHEMBL3867489

CCOC(=O)C/C=C/C1(CC)CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
ALDH1A1 P00352 3/20 0.35
TRPA1 O75762 1/20 0.35
KDM4E B2RXH2 3/20 0.35
UGT2B7 P16662 2/20 0.33
KMT2A Q03164 2/20 0.33
ELANE P08246 1/20 0.33
TSHR P16473 2/20 0.33
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4D Q08499 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 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
SCHEMBL3867493 1.00 MGAM (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13760080 0.75 HCAR2 (0.47) ALDH1A1SMN1; SMN2CYP3A4MAPT
SCHEMBL7591529 0.75 HCAR2 (0.47) ALDH1A1SMN1; SMN2CYP3A4MAPT
SCHEMBL6647774 0.74 GAA (0.57) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6708068 0.74 GAA (0.57) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13760081 0.70
SCHEMBL13765634 0.69
SCHEMBL148959 0.69 NR1I2 (0.53) MGAMGAASIMGAM2ALDH1A1
SCHEMBL148958 0.69 NR1I2 (0.53) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1203424 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563924-B2 9-chloro-15-deoxyprostaglandin derivatives, process for their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 2009-07-21 US disclosed
EP-1816121-B1 9-Chloro-15-deoxyprostaglandin derivatives, process for their preparation and their use as medicaments BAYER SCHERING PHARMA AG (DE) 2008-03-12 EP disclosed
US-20070203096-A1 9-Chloro-15-deoxyprostaglandin derivatives, process for their preparation and their use as medicaments SCHERING AKTIENGESELLSCHAFT (DE) 2007-08-30 US disclosed
EP-1816121-A1 9-Chloro-15-deoxyprostaglandin derivatives, process for their preparation and their use as medicaments Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-08 EP disclosed
WO-2007057232-A1 9-CHLORO-15-DEOXYPROSTAGLANDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-05-24 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-20070203096-A1 9-Chloro-15-deoxyprostaglandin derivatives, process for their preparation and their use as medicaments PGF, PTGIS, CYP11B2 MGAM 3358/4885GAA 4402/4885SI 2355/4885

“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.