SCHEMBL6879083

SCHEMBL6879083

Cc1ccc(OC(F)F)c(OCC2CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.60
PDE4D Q08499 13/20 0.60
PDE4A P27815 10/20 0.60
PDE4C Q08493 10/20 0.60
ABCB11 O95342 1/20 0.48

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
Dalfampridine SCHEMBL27988237 0.88 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL27987890 0.85 PDE4B (0.57) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL23717240 0.82 PDE4B (0.60) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL27968607 0.82 PDE4B (0.62) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL18971899 0.82 PDE4B (0.57) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL1157286 0.82 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL30476643 0.82 PDE4D (0.56) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL8854690 0.82 PDE4D (0.60) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL23982177 0.82 PDE4D (0.56) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL131011 0.82 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CABCB11

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822929-B1 PROCESS FOR PREPARATION OF ROFLUMILAST SCINOPHARM (CHANGSHU) PHARMACEUTICALS LTD (CN) 2017-06-14 EP disclosed
US-9233925-B2 Process for preparation of roflumilast SCINOPHARM (CHANGSHU) PHARMACEUTICALS, LTD. (CN) 2016-01-12 US disclosed
US-20150274667-A1 PROCESS FOR PREPARATION OF ROFLUMILAST SCIANDA (CHANGSHU) PHARMACEUTICALS, LTD. (CN) 2015-10-01 US disclosed
US-8933073-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2015-01-13 US disclosed
US-8933073-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2015-01-13 US disclosed
US-8865662-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2014-10-21 US disclosed
US-8865662-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2014-10-21 US disclosed
US-20140142100-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2014-05-22 US disclosed
US-20140142100-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2014-05-22 US disclosed
WO-2013072938-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF ROFLUMILAST MYLAN LABORATORIES LTD (IN) 2013-05-23 WO disclosed
US-20120277174-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2012-11-01 US disclosed
US-20120277174-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2012-11-01 US disclosed
US-20110144075-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2011-06-16 US disclosed
US-20110053876-A1 MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-03-03 US disclosed
US-20110053876-A1 MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-03-03 US disclosed
WO-2011018510-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-02-17 WO disclosed
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2011-01-27 US disclosed
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2011-01-27 US disclosed
WO-2009106419-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2009-09-03 WO disclosed
WO-2009098320-A2 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-08-13 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 (6 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-20120277174-A1 NEW MACROLIDES AND THEIR USE PDE4A, PDE4B, PDE12 PDE4B 2/4885PDE4D 5/4885PDE4A 1/4885
US-20110053876-A1 MACROLIDES AND THEIR USE PDE4A, PDE12, PDE4B PDE4B 3/4885PDE4D 6/4885PDE4A 1/4885
US-20150274667-A1 PROCESS FOR PREPARATION OF ROFLUMILAST REN, CYP3A5, SULT2A1 PDE4B 283/4885PDE4D 235/4885PDE4A 319/4885
US-20140142100-A1 NEW MACROLIDES AND THEIR USE PDE4A, PDE4B, PDE12 PDE4B 2/4885PDE4D 5/4885PDE4A 1/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 PDE4B 2412/4885PDE4D 2679/4885PDE4A 1873/4885
US-20110144075-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A PDE4B 2/4885PDE4D 8/4885PDE4A 1/4885

“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.