SCHEMBL12047463

SCHEMBL12047463

CON(C)CCC(=O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
L3MBTL1 Q9Y468 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 3/20 0.52
NR4A2 P43354 1/20 0.52
EGFR P00533 2/20 0.51
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL941089 0.82 KMT2A (0.78) KMT2AL3MBTL1TDP1LMNAMAPT
Hydrochloric Acid SCHEMBL173470 0.81 KMT2A (0.75) KMT2AL3MBTL1TDP1LMNAMAPT
SCHEMBL981942 0.80 CTNNB1 (0.48) KMT2ALMNAMAPTNPC1RAB9A
SCHEMBL29016418 0.79 KMT2A (0.72) KMT2AL3MBTL1TDP1LMNAMAPT
Iodomethane SCHEMBL10500732 0.79 KMT2A (0.72) KMT2AL3MBTL1TDP1LMNAMAPT
SCHEMBL940699 0.79 KMT2A (0.56) KMT2AL3MBTL1TDP1LMNAMAPT
SCHEMBL28800185 0.78 KMT2A (0.70) KMT2AL3MBTL1TDP1LMNAMAPT
SCHEMBL22624866 0.78 KMT2A (0.82) KMT2AL3MBTL1TDP1LMNAMAPT
SCHEMBL31093167 0.78 KMT2A (0.70) KMT2AL3MBTL1TDP1LMNAMAPT
SCHEMBL31093129 0.77 KMT2A (0.59) KMT2AL3MBTL1TDP1LMNAMAPT

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
US-8299305-B2 Method for preparing atomoxetine SCI PHARMTECH, INC. (TW) 2012-10-30 US disclosed
US-8299305-B2 Method for preparing atomoxetine SCI PHARMTECH, INC. (TW) 2012-10-30 US disclosed
US-20110319664-A1 METHOD FOR PREPARING ATOMOXETINE SCI PHARMTECH, INC. (TW) 2011-12-29 US disclosed
US-20110319664-A1 METHOD FOR PREPARING ATOMOXETINE SCI PHARMTECH, INC. (TW) 2011-12-29 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 (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-20110319664-A1 METHOD FOR PREPARING ATOMOXETINE TPH2, HTR1A, HTR2B KMT2A 361/4885L3MBTL1 4823/4885TDP1 1282/4885

“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.