SCHEMBL1299740

SCHEMBL1299740

COc1cc(F)[c]cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
HPGD P15428 3/20 0.38
TP53 P04637 3/20 0.38
CYP3A4 P08684 3/20 0.38
LMNA P02545 2/20 0.38
ALOX15 P16050 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
HMGCR P04035 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TRPA1 O75762 1/20 0.36
TRIM24 O15164 1/20 0.36
ALDH5A1 P51649 1/20 0.36
ABAT P80404 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL1299376 0.80 CYP3A4 (0.37) CYP3A4LMNARAB9AHMGCRALDH1A1
SCHEMBL9152723 0.78 MAOB (0.45) MAOBHPGDTP53CYP3A4LMNA
SCHEMBL344237 0.78 LMNA (0.33) CYP3A4LMNARAB9AHTTMAPT
SCHEMBL7956535 0.77 MAOB (0.43) MAOBHPGDTP53CYP3A4LMNA
SCHEMBL5842993 0.77 TUBB1 (0.33) CYP3A4MAPTTAAR1ACHEKDM4E
SCHEMBL7959656 0.75 MAOB (0.42) MAOBHPGDTP53CYP3A4LMNA
SCHEMBL15474681 0.75 MAOB (0.42) MAOBHPGDTP53CYP3A4LMNA
SCHEMBL2344135 0.75 GAA (0.41) TP53LMNARAB9AKMT2AALDH1A1
SCHEMBL2351921 0.74 RAB9A (0.37) CYP3A4LMNAMEN1RAB9AKMT2A
SCHEMBL1097982 0.72 TUBB1 (0.33) CYP3A4LMNARAB9AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269775-A1 Piperazine derivatives M'S SCIENCE CORPORATION 2011-11-03 US disclosed
US-20110218205-A1 Piperazine derivatives M'S SCIENCE CORP. 2011-09-08 US disclosed
US-7985751-B2 Piperazine derivatives M'S SCIENCE CORPORATION (JP) 2011-07-26 US disclosed
US-20090143395-A1 Piperazine Derivatives SUN CONNIE L 2009-06-04 US disclosed
EP-1931347-A2 PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-06-18 EP disclosed
WO-2007021545-A2 PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-02-22 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 (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-20110269775-A1 Piperazine derivatives SIGMAR1, OPRK1, OPRL1 MAOB 845/4885HPGD 2167/4885TP53 4323/4885
US-20090143395-A1 Piperazine Derivatives SIGMAR1, OPRK1, OPRL1 MAOB 845/4885HPGD 2167/4885TP53 4323/4885
US-20110218205-A1 Piperazine derivatives SIGMAR1, OPRK1, OPRM1 MAOB 745/4885HPGD 2033/4885TP53 4274/4885

“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.