SCHEMBL6051027

SCHEMBL6051027

C1OC2CC12.O=C(O)c1ccc(OC(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
GFER P55789 1/20 0.45
ADAM17 P78536 1/20 0.45
KMT2A Q03164 4/20 0.45
ATM Q13315 1/20 0.43
ALDH1A1 P00352 9/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
TSHR P16473 2/20 0.41
MDM2 Q00987 1/20 0.41
HTT P42858 1/20 0.40
SRD5A2 P31213 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
TEAD4 Q15561 1/20 0.38
LMNA P02545 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL15270512 0.87 PARP10 (0.46) ALOX15GFERADAM17KMT2AATM
SCHEMBL29145870 0.86 KMT2A (0.51) ALOX15GFERADAM17KMT2AATM
SCHEMBL6051031 0.85 ALOX15 (0.46) ALOX15GFERADAM17KMT2AATM
SCHEMBL1018588 0.81 KMT2A (0.64) ALOX15GFERADAM17KMT2AATM
Hydrochloric Acid SCHEMBL9015381 0.79 KMT2A (0.62) ALOX15GFERADAM17KMT2AATM
SCHEMBL2954084 0.78 DRD1 (0.59) ALOX15GFERADAM17KMT2AATM
Paraben SCHEMBL6051026 0.77 CA2 (0.57) ALOX15ALDH1A1TSHRHTTSRD5A2
SCHEMBL613183 0.76 PDE4D (0.51) ALOX15GFERADAM17KMT2AMAPT
SCHEMBL2949700 0.75 SMN1; SMN2 (0.40) KMT2AALDH1A1HTTMEN1MAPT
SCHEMBL16629709 0.71 KMT2A (0.47) ALOX15GFERADAM17KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145365-B2 Process for the preparation of Roflumilast Mylan Laboratories Ltd. (IN) 2015-09-29 US claimed
US-20140275551-A1 PROCESS FOR THE PREPARATION OF ROFLUMILAST Mylan Laboratories Ltd. (IN) 2014-09-18 US claimed
EP-2776395-A2 PROCESS FOR THE PREPARATION OF ROFLUMILAST Mylan Laboratories, Limited (IN) 2014-09-17 EP claimed
WO-2013072938-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF ROFLUMILAST MYLAN LABORATORIES LTD (IN) 2013-05-23 WO claimed
EP-1670742-A1 PROCESS FOR THE PREPARATION OF ROFLUMILAST Ranbaxy Laboratories Limited (IN) 2006-06-21 EP claimed
WO-2005026095-A1 PROCESS FOR THE PREPARATION OF ROFLUMILAST RANBAXY LABORATORIES LIMITED (IN) 2005-03-24 WO claimed
CN-105646338-A Preparation method of Roflumilast 陈红 2016-06-08 CN disclosed
US-9145365-B2 Process for the preparation of Roflumilast Mylan Laboratories Ltd. (IN) 2015-09-29 US disclosed
US-20140275551-A1 PROCESS FOR THE PREPARATION OF ROFLUMILAST Mylan Laboratories Ltd. (IN) 2014-09-18 US disclosed
EP-2776395-A2 PROCESS FOR THE PREPARATION OF ROFLUMILAST Mylan Laboratories, Limited (IN) 2014-09-17 EP disclosed
WO-2013072938-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF ROFLUMILAST MYLAN LABORATORIES LTD (IN) 2013-05-23 WO disclosed
EP-1670742-A1 PROCESS FOR THE PREPARATION OF ROFLUMILAST Ranbaxy Laboratories Limited (IN) 2006-06-21 EP disclosed
WO-2005026095-A1 PROCESS FOR THE PREPARATION OF ROFLUMILAST RANBAXY LABORATORIES LIMITED (IN) 2005-03-24 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 (1 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-20140275551-A1 PROCESS FOR THE PREPARATION OF ROFLUMILAST TFPI, CMA1, F2R ALOX15 988/4885GFER 1501/4885ADAM17 412/4885

“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.