SCHEMBL2980289

SCHEMBL2980289

CCC1=C(Nc2ccc(OC)c(OC3Cc4ccccc4C3)c2)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.44
PDE4A P27815 6/20 0.44
PDE4C Q08493 6/20 0.44
PDE4D Q08499 6/20 0.44
POLB P06746 2/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 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
SCHEMBL2971133 0.86 POLB (0.54) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL2979730 0.86 LMNA (0.51) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL2979724 0.80 PDE4B (0.45) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL2972125 0.78 TSHR (0.53) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL2966399 0.78 PDE4A (0.50) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL2966656 0.77 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL5704555 0.77 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL2979737 0.75 TSHR (0.50) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL2978242 0.75 POLB (0.51) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL2976136 0.73 LMNA (0.46) PDE4BPDE4APDE4CPDE4DPOLB

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
US-7772258-B2 Agent for treatment of allergic eye disease NIKKEN CHEMICALS CO., LTD. (JP) 2010-08-10 US disclosed
US-20080306163-A1 AGENT FOR TREATMENT OF ALLERGIC EYE DISEASE NIKKEN CHEMICALS CO., LTD. 2008-12-11 US disclosed
EP-0994100-B1 3-ANILINO-2-CYCLOALKENONE DERIVATES NIKKEN CHEMICALS CO LTD (JP) 2006-08-30 EP disclosed
US-20040220227-A1 Remedies for allergic eye diseases NIKKEN CHEMICALS CO., LTD. (JP) 2004-11-04 US disclosed
EP-1410795-A1 REMEDIES FOR ALLERGIC EYE DISEASES Nikken Chemicals Company, Limited (JP) 2004-04-21 EP disclosed
US-6235736-B1 ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-05-22 US disclosed
EP-0994100-A1 3-ANILINO-2-CYCLOALKENONE DERIVATES Nikken Chemicals Company, Limited (JP) 2000-04-19 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-20040220227-A1 Remedies for allergic eye diseases HRH2, HRH1, HRH4 PDE4B 2290/4885PDE4A 1663/4885PDE4C 2319/4885
US-20080306163-A1 AGENT FOR TREATMENT OF ALLERGIC EYE DISEASE HRH4, HRH3, HRH2 PDE4B 2422/4885PDE4A 2224/4885PDE4C 3419/4885

“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.