SCHEMBL2980309

SCHEMBL2980309

COc1ccc(N(C2=CC(=O)CC2)C2CCCC2)cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.49
PDE4A P27815 18/20 0.49
PDE4D Q08499 18/20 0.49
PDE4C Q08493 17/20 0.49
CYP3A4 P08684 2/20 0.43
VEGFA P15692 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CREBBP Q92793 1/20 0.43
MAPK14 Q16539 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PDE5A O76074 1/20 0.43
TNF P01375 1/20 0.43
MAPK1 P28482 1/20 0.43
BLM P54132 1/20 0.43
PDE1A P54750 1/20 0.43

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
SCHEMBL2974532 0.86 PDE4B (0.51) PDE4BPDE4APDE4DPDE4CCYP3A4
SCHEMBL2980580 0.82 PDE4B (0.47) PDE4BPDE4APDE4DPDE4CMAPK14
SCHEMBL2978249 0.81 PDE4B (0.46) PDE4BPDE4APDE4DPDE4CVEGFA
SCHEMBL2976024 0.80 PDE4A (0.50) PDE4BPDE4APDE4DPDE4C
SCHEMBL2971147 0.80 PDE4B (0.50) PDE4BPDE4APDE4DPDE4CCYP3A4
SCHEMBL2976079 0.79 PDE4A (0.49) PDE4BPDE4APDE4DPDE4C
SCHEMBL2973577 0.78 PDE4B (0.44) PDE4BPDE4APDE4DPDE4C
SCHEMBL2977973 0.78 PDE4A (0.52) PDE4BPDE4APDE4DPDE4C
SCHEMBL2978983 0.75 PDE4A (0.49) PDE4BPDE4APDE4DPDE4CCYP3A4
SCHEMBL2981390 0.75 PDE4A (0.44) PDE4BPDE4APDE4DPDE4C

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
US-20040220227-A1 Remedies for allergic eye diseases NIKKEN CHEMICALS CO., LTD. (JP) 2004-11-04 US claimed
EP-1410795-A1 REMEDIES FOR ALLERGIC EYE DISEASES Nikken Chemicals Company, Limited (JP) 2004-04-21 EP claimed
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 1663/4885PDE4D 2881/4885
US-20080306163-A1 AGENT FOR TREATMENT OF ALLERGIC EYE DISEASE HRH4, HRH3, HRH2 PDE4B 2422/4885PDE4A 2224/4885PDE4D 2841/4885

“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.