SCHEMBL14736733

SCHEMBL14736733

CCCCCC(=O)OC(C)(C)COc1c(-c2cccc3c2CCC3=O)ccc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
CNR2 P34972 4/20 0.38
CNR1 P21554 1/20 0.38
GAA P10253 1/20 0.37
POLM Q9NP87 2/20 0.34
POLK Q9UBT6 2/20 0.34
POLL Q9UGP5 2/20 0.34
POLH Q9Y253 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
LTB4R Q15722 3/20 0.33
LTB4R2 Q9NPC1 3/20 0.33
F3 P13726 1/20 0.33
PDE4D Q08499 1/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL14737077 0.97 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDCNR2CNR1
SCHEMBL2592461 0.94 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDCNR2CNR1
SCHEMBL2591764 0.90 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDCNR2CNR1
SCHEMBL14734833 0.88 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL2589336 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL2592149 0.87 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL2584956 0.87 CNR2 (0.37) KDM4ECNR2CNR1POLMPOLK
SCHEMBL2592543 0.86 CNR2 (0.36) CNR2CNR1POLMPOLKPOLL
SCHEMBL2591750 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDGAAHDAC4
SCHEMBL14737130 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDGAAHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US 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-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE4A ALDH1A1 824/4885KDM4E 1593/4885HPGD 1088/4885

“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.