SCHEMBL2586021

SCHEMBL2586021

CC(N)(C=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.46
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
TAAR1 Q96RJ0 2/20 0.43
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 1/20 0.39
ALOX15 P16050 1/20 0.38
SLC6A2 P23975 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL27722609 0.79 CA2 (0.41) KMT2AALDH1A1MAPK1CYP1A2CYP2C19
SCHEMBL13068858 0.79 KCNN4 (0.43) KCNN4MAPTKMT2AALDH1A1CYP3A4
SCHEMBL27847412 0.79 MEN1 (0.48) KMT2AMAPK1CYP1A2CYP2C19HIF1A
SCHEMBL6284155 0.77 KIF11 (0.43) MAPTKMT2AALDH1A1CYP3A4MAPK1
SCHEMBL6846285 0.77 CASR (0.45) ALDH1A1CYP3A4CYP1A2CYP2D6SLC6A2
SCHEMBL2898192 0.76 KCNN4 (0.46) KCNN4MAPTKMT2ATAAR1ESR1
SCHEMBL28442672 0.76 CYP19A1 (0.51) CYP3A4CYP1A2
SCHEMBL2121346 0.75 ESR1 (0.44) KCNN4MAPTKMT2ATAAR1ESR1
SCHEMBL6379504 0.75 KCNN4 (0.50) KCNN4MAPTKMT2ATAAR1ALDH1A1
Acetaldehyde SCHEMBL8461177 0.75 KCNN4 (0.50) KCNN4MAPTKMT2ATAAR1ALDH1A1

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-8962889-B2 Process for producing optically active β-amino aldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-24 US disclosed
EP-2631228-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE B-AMINO ALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2013-08-28 EP disclosed
US-20130211139-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE BETA-AMINO ALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-15 US disclosed
CN-103189352-A Process for producing optically active [beta]-amino aldehyde compound SUMITOMO CHEMICAL CO 2013-07-03 CN disclosed
US-20110268697-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US disclosed
EP-2248811-A1 2-OXOCHROMENE DERIVATIVE Kowa Company, Ltd. (JP) 2010-11-10 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 (2 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-20130211139-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE BETA-AMINO ALDEHYDE COMPOUND ALDH7A1, ALDH1A2, ALDH18A1 KCNN4 3768/4885MAPT 1860/4885KMT2A 1531/4885
US-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KCNN4 4880/4885MAPT 4065/4885KMT2A 4516/4885

“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.