SCHEMBL3681373

SCHEMBL3681373

CC(NCC1CCCCC1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CYP3A4 P08684 2/20 0.53
LMNA P02545 2/20 0.53
CHRM2 P08172 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
SMPD1 P17405 1/20 0.53
DRD1 P21728 1/20 0.53
TBXA2R P21731 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
CASR P41180 1/20 0.53
HTR2B P41595 1/20 0.53
SLC6A3 Q01959 1/20 0.53

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
SCHEMBL3681375 1.00 GAA (0.61) GAAL3MBTL1CYP3A4LMNACHRM2
SCHEMBL12410231 0.91 SIGMAR1 (0.61) GAAL3MBTL1CYP3A4LMNACHRM2
SCHEMBL28138387 0.83 HTT (0.43) GAAL3MBTL1CYP3A4LMNACHRM2
SCHEMBL10528280 0.83 GAA (0.45) GAAL3MBTL1CYP3A4HTR2BCYP1A2
SCHEMBL10379310 0.83 EPHX1 (0.47) GAAL3MBTL1CYP3A4CYP1A2KMT2A
SCHEMBL3757372 0.83 OPRK1 (0.50) GAAL3MBTL1LMNAMEN1KMT2A
SCHEMBL7636630 0.82 LMNA (0.49) GAAL3MBTL1CYP3A4LMNACHRM2
SCHEMBL15131085 0.82 CYP3A4 (0.54) GAAL3MBTL1CYP3A4LMNACHRM2
SCHEMBL7636623 0.82 LMNA (0.49) GAAL3MBTL1CYP3A4LMNACHRM2
SCHEMBL16067322 0.81 NPC1 (0.52) GAAL3MBTL1MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884509-B1 OPTICALLY ACTIVE 3-METHYLCYCLOPENTADECANONE AND METHOD FOR PRODUCING INTERMEDIATE THEREOF TAKASAGO PERFUMERY CO LTD (JP) 2013-01-02 EP disclosed
US-7728177-B2 Optically active 3-methylcyclopentadecanone and method for producing intermediate thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-06-01 US disclosed
US-20090124826-A1 2-cyclopentadecen-1-one is subjected to a 1,4-conjugate addition reaction of a methyl group by using a methylated organic metal ( dimethylzinc) in presence of a catalyst (trifluoromethanesulfonic acid, cu salt), an enol anion scavenger(propionic anhydride), a specific optically active phosphoramidite TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-05-14 US disclosed
EP-1884509-A1 OPTICALLY ACTIVE 3-METHYLCYCLOPENTADECANONE AND METHOD FOR PRODUCING INTERMEDIATE THEREOF Takasago International Corporation (JP) 2008-02-06 EP 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-20090124826-A1 2-cyclopentadecen-1-one is subjected to a 1,4-conjugate addition reaction of a methyl group by using a methylated organic metal ( dimethylzinc) in presence of a catalyst (trifluoromethanesulfonic acid, cu salt), an enol anion scavenger(propionic anhydride), a specific optically active phosphoramidite CPN1, CAPN1, MCOLN1 GAA 1212/4885L3MBTL1 2010/4885CYP3A4 2837/4885

“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.