SCHEMBL17888652

SCHEMBL17888652

C[C@@H](O)c1ccc(C(N)=O)cc1Oc1ccc(OCCOC2CCOC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.42
PDE4A P27815 6/20 0.39
PDE4B Q07343 6/20 0.39
PDE4C Q08493 6/20 0.39
F2 P00734 3/20 0.37
F10 P00742 3/20 0.37
PRSS1 P07477 3/20 0.37
PRSS2 P07478 3/20 0.37
F7 P08709 3/20 0.37
F3 P13726 3/20 0.37
PRSS3 P35030 3/20 0.37
PARP10 Q53GL7 1/20 0.36
MAPK1 P28482 1/20 0.35
ATF4 P18848 1/20 0.35

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
SCHEMBL17931464 1.00 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CF2
SCHEMBL17899388 1.00 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CF2
SCHEMBL20525479 1.00 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CF2
SCHEMBL17888650 1.00 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CF2
SCHEMBL17899141 1.00 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CF2
SCHEMBL17888594 0.94 PDE4D (0.37) PDE4DPDE4APDE4BPDE4CF10
SCHEMBL17899128 0.94 PDE4D (0.37) PDE4DPDE4APDE4BPDE4CF10
SCHEMBL17888597 0.94 PDE4D (0.37) PDE4DPDE4APDE4BPDE4CF10
SCHEMBL17888612 0.86 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CF10
SCHEMBL17899129 0.86 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CF2

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-3040329-B1 AROMATIC COMPOUND AND USE THEREOF IN THE TREATMENT OF DISORDERS ASSOCIATED WITH BONE METABOLISM KYOTO PHARMA IND (JP) 2018-10-10 EP claimed
US-10059663-B2 Aromatic compound and use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2018-08-28 US claimed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US claimed
EP-3040329-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2016-07-06 EP claimed
EP-3040329-B1 AROMATIC COMPOUND AND USE THEREOF IN THE TREATMENT OF DISORDERS ASSOCIATED WITH BONE METABOLISM KYOTO PHARMA IND (JP) 2018-10-10 EP disclosed
US-10059663-B2 Aromatic compound and use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2018-08-28 US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
EP-3040329-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2016-07-06 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 (2 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-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF SOST, BMP2, ALPI PDE4D 3319/4885PDE4A 3148/4885PDE4B 2443/4885
US-10059663-B2 Aromatic compound and use thereof SOST, ALPI, FGF23 PDE4D 4024/4885PDE4A 3581/4885PDE4B 2951/4885

“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.