SCHEMBL3670113

SCHEMBL3670113

COc1ccccc1CNC(C)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.73
L3MBTL1 Q9Y468 2/20 0.73
LMNA P02545 1/20 0.69
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
CASR P41180 2/20 0.52
POLB P06746 2/20 0.51
TACR1 P25103 1/20 0.51
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
CHRM2 P08172 1/20 0.49

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
SCHEMBL3670110 1.00 ATM (0.73) ATML3MBTL1LMNAMEN1KMT2A
SCHEMBL7183804 0.86 LMNA (0.58) ATML3MBTL1LMNAMEN1KMT2A
SCHEMBL9088417 0.86 LMNA (0.58) ATML3MBTL1LMNAMEN1KMT2A
SCHEMBL9087458 0.86 LMNA (0.58) ATML3MBTL1LMNAMEN1KMT2A
SCHEMBL14469670 0.85 ATM (0.57) ATML3MBTL1LMNAMEN1KMT2A
SCHEMBL24455051 0.84 LMNA (0.70) ATML3MBTL1LMNAMEN1KMT2A
SCHEMBL29793657 0.84 LMNA (0.70) ATML3MBTL1LMNAMEN1KMT2A
SCHEMBL14469760 0.83 L3MBTL1 (0.55) ATML3MBTL1LMNAMEN1KMT2A
SCHEMBL9965797 0.82 ATM (0.67) ATML3MBTL1MEN1KMT2AALDH1A1
SCHEMBL15131152 0.82 LMNA (0.56) ATML3MBTL1LMNAMEN1KMT2A

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 ATM 4810/4885L3MBTL1 2010/4885LMNA 958/4885

“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.