SCHEMBL4152456

SCHEMBL4152456

COc1ccc(I)cc1OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.42
PDE4A P27815 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39
CA2 P00918 3/20 0.39

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
SCHEMBL470124 0.83 CA2 (0.54) PDE4ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31277237 0.83 CA2 (0.54) PDE4ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28651200 0.81 PDE4A (0.35) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL16978288 0.80 NPSR1 (0.37) PDE4BALDH1A1GAAAPPCSNK2A1
SCHEMBL16978291 0.80 STK17B (0.39) PDE4BPDE4APDE4CPDE4DCA2
SCHEMBL15197105 0.78 CSNK2A1 (0.33) ACHEALDH1A1HPGDCSNK2A1
SCHEMBL6112972 0.78 TSHR (0.39) MAPTSMN1; SMN2CSNK2A1
SCHEMBL10196610 0.78 ACHE (0.68) PDE4BPDE4APDE4CPDE4DACHE
SCHEMBL13791695 0.78 CA12 (0.68) CA2CA12CA1CA7CA9
SCHEMBL24460269 0.76 SLC6A4 (0.49) ACHEMAPTHPGDCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563244-B Substituted aza five-membered ring compound and application thereof in medicine 广东东阳光药业股份有限公司 2025-01-10 CN disclosed
CN-113563245-B Substituted pyrrolidines and their use in medicine 广东东阳光药业股份有限公司 2024-10-15 CN disclosed
CN-116354992-A PDE4 inhibitor and application thereof in medicines 广东东阳光药业有限公司 2023-06-30 CN disclosed
CN-113563245-A Substituted pyrrolidine compounds and application thereof in medicines 广东东阳光药业有限公司 2021-10-29 CN disclosed
CN-113563244-A Substituted aza five-membered ring compound and application thereof in medicine 广东东阳光药业有限公司 2021-10-29 CN disclosed
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 US disclosed
EP-1581471-B9 CYCLOPENTENONE DERIVATIVES FOR CANCER THERAPY DABUR RES FOUNDATION (IN) 2008-08-13 EP disclosed
EP-1581471-B1 CYCLOPENTENONE DERIVATIVES FOR CANCER THERAPY DABUR RES FOUNDATION (IN) 2008-04-16 EP disclosed
EP-1888528-A2 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2008-02-20 EP disclosed
US-20070049611-A1 Phosphodiesterase 4 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed
US-7179937-B2 Cyclopentenone derivatives for cancer therapy DABUR RESEARCH FOUNDATION (IN) 2007-02-20 US disclosed
WO-2006135828-A2 TRISUBSTITUTED AMINES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-12-21 WO disclosed
EP-1581471-A1 CYCLOPENTENONE DERIVATIVES FOR CANCER THERAPY Dabur Research Foundation (IN) 2005-10-05 EP disclosed
WO-2004056738-A1 CYCLOPENTENONE DERIVATIVES FOR CANCER THERAPY DABUR RESEARCH FOUNDATION (IN) 2004-07-08 WO disclosed
US-20030229146-A1 Cyclopentenone derivatives for cancer therapy DABUR RESEARCH FOUNDATION 2003-12-11 US 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 (3 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-20070049611-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3B, PDE4B PDE4B 3/4885PDE4A 1/4885PDE4C 7/4885
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE4B PDE4B 3/4885PDE4A 1/4885PDE4C 7/4885
US-20030229146-A1 Cyclopentenone derivatives for cancer therapy MCL1, DLD, PYCR1 PDE4B 1301/4885PDE4A 1287/4885PDE4C 996/4885

“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.