SCHEMBL12844009

SCHEMBL12844009

CCCc1ccc(OC)c(OCC)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 3/20 0.61
ATM Q13315 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CA2 P00918 1/20 0.52
POLB P06746 1/20 0.51
CYP19A1 P11511 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
SIGMAR1 Q99720 2/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
EBP Q15125 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL680660 0.93 CALM1 (0.71) CALM1ATMKDM4ECA2POLB
SCHEMBL623585 0.90 CALM1 (0.57) CALM1POLBCYP1A2CYP3A4L3MBTL1
SCHEMBL427541 0.88 ATM (0.68) ATMKDM4ECA2POLBCYP19A1
Ammonia Solution, Strong SCHEMBL10556485 0.86 ATM (0.66) ATMKDM4ECA2POLBCYP19A1
SCHEMBL7089061 0.86 CALM1 (0.58) CALM1ATMKDM4ECA2POLB
SCHEMBL3125186 0.86 CALM1 (0.58) CALM1ATMKDM4ECA2POLB
SCHEMBL1223578 0.86 KDM4E (0.77) CALM1ATMKDM4ECA2POLB
SCHEMBL14586637 0.86 ATM (0.51) CALM1ATMKDM4ECA2POLB
SCHEMBL11030253 0.85 CALM1 (0.56) CALM1ATMKDM4ECA2L3MBTL1
Hydrochloric Acid SCHEMBL8621698 0.85 ATM (0.63) ATMKDM4ECA2POLBCYP19A1

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
WO-2017105263-A1 PROCESS FOR THE PREPARATION OF A PHARMACEUTICAL AGENT ZAKLADY FARMACEUTYCZNE POLPHARMA SA (PL) 2017-06-22 WO disclosed
EP-3181549-A1 PROCESS FOR THE PREPARATION OF APREMILAST Zaklady Farmaceutyczne Polpharma SA (PL) 2017-06-21 EP disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-7384958-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 US disclosed
US-7384958-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 US disclosed
US-7378430-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378430-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20070155788-A1 Quinoline Inhibitors of cGMP Phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-07-05 US disclosed
US-20070155788-A1 Quinoline Inhibitors of cGMP Phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-07-05 US disclosed
US-20070155775-A1 Quinoline Inhibitors of cGMP Phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-07-05 US disclosed
US-20070155775-A1 Quinoline Inhibitors of cGMP Phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-07-05 US disclosed
US-20070117843-A1 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-05-24 US disclosed
US-20070117843-A1 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-05-24 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 (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-20070155788-A1 Quinoline Inhibitors of cGMP Phosphodiesterase PDE5A, PDE3A, PDE2A CALM1 1002/4885ATM 1232/4885KDM4E 1553/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK CALM1 1278/4885ATM 4350/4885KDM4E 3026/4885
US-20070117843-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE3A, PDE2A CALM1 1002/4885ATM 1232/4885KDM4E 1553/4885
US-20070155775-A1 Quinoline Inhibitors of cGMP Phosphodiesterase PDE5A, PDE3A, PDE2A CALM1 1002/4885ATM 1232/4885KDM4E 1553/4885

“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.