SCHEMBL2980733

SCHEMBL2980733

C=CCC(I)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
HTT P42858 1/20 0.33
MAPK1 P28482 1/20 0.33
SOAT1 P35610 1/20 0.33
PIN1 Q13526 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL5819364 0.79 ALDH1A1 (0.39) PKMALDH1A1KDM4EMEN1KMT2A
SCHEMBL17206359 0.79 ALDH1A1 (0.39) PKMALDH1A1KDM4EMEN1KMT2A
SCHEMBL283884 0.79 MEN1 (0.46) PKMALDH1A1KDM4EMEN1KMT2A
SCHEMBL27934818 0.79 CYP2C19 (0.37) ALDH1A1MEN1KMT2ALMNA
SCHEMBL1361264 0.79 CYP4F2 (0.44) PKMALDH1A1KDM4EMEN1KMT2A
SCHEMBL22323568 0.78 ALDH1A1 (0.37) PKMALDH1A1KDM4EMEN1KMT2A
SCHEMBL4548473 0.78 CYP4F2 (0.47) PKMALDH1A1KDM4EMEN1KMT2A
SCHEMBL3977030 0.78 PKM (0.44) PKMALDH1A1KDM4EMEN1KMT2A
SCHEMBL12751316 0.78 PKM (0.41) PKMALDH1A1KDM4EMEN1KMT2A
SCHEMBL8619758 0.77 MAPK1 (0.35) PKMALDH1A1KDM4EMEN1KMT2A

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-8198296-B2 Sub-type selective azabicycloalkane derivatives TARGACEPT, INC. (US) 2012-06-12 US disclosed
US-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2010-07-08 US disclosed
EP-2139857-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES Targacept Inc. (US) 2010-01-06 EP disclosed
WO-2008121686-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2008-10-09 WO 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-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES CHRNB2, CHRNB4, CHRNA4 PKM 1252/4885ALDH1A1 991/4885KDM4E 1204/4885

“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.