SCHEMBL5758960

SCHEMBL5758960

O=Cc1ccc(OC(F)F)c(OC2CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.48
PDE4B Q07343 11/20 0.46
PDE4D Q08499 11/20 0.46
PDE4A P27815 5/20 0.46
PDE4C Q08493 5/20 0.46
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 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
SCHEMBL5759440 0.95 PDE4D (0.51) DRD1PDE4BPDE4DPDE4APDE4C
SCHEMBL498509 0.94 PDE4D (0.53) DRD1PDE4BPDE4DPDE4APDE4C
SCHEMBL31619151 0.94 PDE4D (0.53) DRD1PDE4BPDE4DPDE4APDE4C
SCHEMBL28806357 0.88 PDE4D (0.47) DRD1PDE4BPDE4DPDE4APDE4C
SCHEMBL7143854 0.85 PDE4D (0.60) DRD1PDE4BPDE4DPDE4APDE4C
SCHEMBL29440132 0.85 DRD1 (0.53) DRD1PDE4BPDE4DPDE4APDE4C
SCHEMBL140841 0.85 DRD1 (0.53) DRD1PDE4BPDE4DPDE4APDE4C
SCHEMBL20064241 0.82 PDE4D (0.48) PDE4BPDE4DPDE4APDE4C
SCHEMBL22713946 0.81 ALDH1A1 (0.68) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL8845986 0.80 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113121894-B Wear-resistant anti-slip rubber 浙江中瑞橡胶高分子材料股份有限公司 2022-04-05 CN claimed
CN-113121894-A Wear-resistant anti-slip rubber 浙江中瑞橡胶高分子材料股份有限公司 2021-07-16 CN claimed
CN-115197190-A Novel plant flavone derivative and preparation method and application thereof 中国海洋大学 2022-10-18 CN disclosed
CN-113121894-B Wear-resistant anti-slip rubber 浙江中瑞橡胶高分子材料股份有限公司 2022-04-05 CN disclosed
CN-113121894-A Wear-resistant anti-slip rubber 浙江中瑞橡胶高分子材料股份有限公司 2021-07-16 CN disclosed
EP-1272488-B1 TRI-ARYL-SUBSTITUTED-ETHANE PDE4 INHIBITORS MERCK FROSST CANADA INC (CA) 2006-03-22 EP disclosed
US-20060004056-A1 Di-aryl-substituted-ethan pyridone pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2006-01-05 US disclosed
EP-1519922-A1 DI-ARYL-SUBSTITUTED ETHANE PYRIDONE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2005-04-06 EP disclosed
US-6841564-B2 Tri-aryl-substituted-ethane PDE4 inhibitors MERCK FROSST CANADA & CO. (CA) 2005-01-11 US disclosed
WO-2004005258-A1 DI-ARYL-SUBSTITUTED-ETHANE PYRIDONE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-01-15 WO disclosed
US-6639077-B2 Ethanes substituted with a phenyl, a thiazole, and a pyridyl are phosphodiesterase (PDE4) inhibitors; leukotriene receptor antagonists MERCK FROSST CANADA & CO. (CA) 2003-10-28 US disclosed
EP-1272488-A2 TRI-ARYL-SUBSTITUTED-ETHANE PDE4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2003-01-08 EP disclosed
US-20020173661-A1 Tri-aryl-substituted-ethane PDE4 inhibitors MERCK FROSST CANADA & CO. 2002-11-21 US disclosed
US-20020156105-A1 Tri-aryl-substituted-ethane PDE4 inhibitors MERCK FROSST CANADA LTD. (CA) 2002-10-24 US disclosed
US-6399636-B2 FOR THERAPY OF ASTHMA, CHRONIC BRONCHITIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD), EOSINOPHILIC GRANULOMA, PSORIASIS AND SEPTIC SHOCK, ULCERATIVE COLITIS, CROHN'S DISEASE, REPERFUSION INJURY OF THE MYOCARDIUM AND BRAIN MERCK FROSST CANADA & CO. (CA) 2002-06-04 US disclosed
US-20020013347-A1 Tri-aryl-substituted-ethane PDE4 inhibitors MERCK FROSST CANADA LTD. (CA) 2002-01-31 US disclosed
EP-1157007-A1 PDE IV INHIBITING COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK FROSST CANADA INC. (CA) 2001-11-28 EP disclosed
WO-2001070738-A2 TRI-ARYL-SUBSTITUTED-ETHANE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 WO disclosed
US-6204275-B1 PDE IV inhibiting compounds, compositions and methods of treatment MERCK FROSST CANADA & CO. (CA) 2001-03-20 US disclosed
WO-2000050402-A1 PDE IV INHIBITING COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK FROSST CANADA & CO. (CA) 2000-08-31 WO 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 (4 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-20020173661-A1 Tri-aryl-substituted-ethane PDE4 inhibitors PDE4A, PDE4B, PDE3A DRD1 2507/4885PDE4B 2/4885PDE4D 7/4885
US-20020156105-A1 Tri-aryl-substituted-ethane PDE4 inhibitors PDE4A, PDE4B, PDE3A DRD1 2507/4885PDE4B 2/4885PDE4D 7/4885
US-20020013347-A1 Tri-aryl-substituted-ethane PDE4 inhibitors PDE4A, PDE4B, PDE3A DRD1 2597/4885PDE4B 2/4885PDE4D 5/4885
US-20060004056-A1 Di-aryl-substituted-ethan pyridone pde4 inhibitors PDE4A, PTGER4, IL4 DRD1 1947/4885PDE4B 4/4885PDE4D 8/4885

“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.