SCHEMBL3589293

SCHEMBL3589293

COc1ccc(CCCCOc2ccc(-c3ncccc3C(=O)O)cc2C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
LTB4R Q15722 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
XDH P47989 5/20 0.42

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
SCHEMBL3587961 0.97 XDH (0.42) PDE4APDE4BPDE4CPDE4DXDH
SCHEMBL3598978 0.94 XDH (0.43) XDH
SCHEMBL3585744 0.91 XDH (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3579532 0.90 KDM4E (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3584617 0.88 XDH (0.50) PDE4APDE4BPDE4CPDE4DXDH
SCHEMBL3588238 0.87 KDM4E (0.41) ALDH1A1XDH
SCHEMBL3583718 0.86 XDH (0.42) ALDH1A1HPGDXDH
SCHEMBL3585625 0.86 XDH (0.52) XDH
SCHEMBL3582223 0.85 NPC1 (0.48) ALDH1A1XDH
SCHEMBL3581418 0.85 XDH (0.53) XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2128136-A1 2-PHENYLNICOTINIC ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2009-12-02 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 (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-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE XDH, NUDT1, PNPO PDE4A 1997/4885PDE4B 1577/4885PDE4C 2216/4885

“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.