SCHEMBL3302363

SCHEMBL3302363

COc1ccc(C(=O)O)c2c1OC1(CCN(C(C)=O)CC1)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.41
TSHR P16473 3/20 0.41
KCNA3 P22001 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL5722764 0.84 ALDH1A1 (0.43) ALDH1A1LMNAKDM4EHSD17B10MAPT
SCHEMBL3299356 0.82 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EHSD17B10POLB
SCHEMBL3305218 0.81 PDE4A (0.45) ALDH1A1LMNAKDM4EHSD17B10MAPT
SCHEMBL3311505 0.81 ALDH1A1 (0.40) ALDH1A1LMNAKDM4EHSD17B10MAPT
SCHEMBL3305166 0.78 PDE4A (0.59)
SCHEMBL3302030 0.76 PDE4A (0.39) ALDH1A1LMNAKDM4EHSD17B10MAPT
SCHEMBL6837909 0.75 MAPT (0.47) ALDH1A1LMNAKDM4EHSD17B10POLB
SCHEMBL16005796 0.73 PDE4A (0.41) CYP2D6TSHRLMNAHTR1AADRA1D
SCHEMBL30869219 0.73 KDM4E (0.54) ALDH1A1LMNAKDM4EHSD17B10HTR1A
SCHEMBL17375277 0.73 KDM4E (0.54) ALDH1A1LMNAKDM4EHSD17B10HTR1A

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-2114951-B9 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2015-09-02 EP disclosed
EP-2114951-B9 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2015-09-02 EP disclosed
US-8338431-B2 Phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2012-12-25 US disclosed
US-8338431-B2 Phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2012-12-25 US disclosed
US-8338431-B2 Phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2012-12-25 US disclosed
US-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2010-04-22 US disclosed
US-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2010-04-22 US disclosed
US-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2010-04-22 US disclosed
WO-2008104175-A2 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2008-09-04 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-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS PDE3A, PDE5A, PDE3B CYP2D6 357/4885TSHR 3725/4885KCNA3 848/4885

“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.