SCHEMBL3629950

SCHEMBL3629950

COC(=O)c1ccc(CN2CCC(O)CC2)c(OC(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PDCD1 Q15116 2/20 0.45
CD274 Q9NZQ7 2/20 0.45
MAPT P10636 2/20 0.44
CCR5 P51681 1/20 0.41
CCR3 P51677 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
FGFR1 P11362 1/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3632698 0.83 KMT2A (0.43) ALDH1A1MEN1PKMKMT2AKDM4E
SCHEMBL27359188 0.81 ALDH1A1 (0.50) ALDH1A1KDM4ECD274MAPTCCR3
SCHEMBL15847501 0.78 DDR1 (0.50) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL15033008 0.78 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL2827834 0.76 ALDH1A1 (0.47) ALDH1A1MEN1PKMKMT2AKDM4E
SCHEMBL2624494 0.75 L3MBTL1 (0.59) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL19859015 0.75 KDM4E (0.68) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL221971 0.75 SMN1; SMN2 (0.56) ALDH1A1KMT2AKDM4EMAPTLMNA
SCHEMBL3632174 0.73 MEN1 (0.45) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL16669738 0.72 MEN1 (0.39) ALDH1A1MEN1PKMKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 ALDH1A1 495/4885MEN1 3372/4885PKM 2945/4885

“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.