SCHEMBL10133048

SCHEMBL10133048

C[C@@H](C(=O)NCc1ccc(OCc2ccccc2)cc1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.48
LTA4H P09960 1/20 0.48
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.47
EPHX1 P07099 1/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 1/20 0.47
BCHE P06276 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
SCHEMBL10133049 0.97 LMNA (0.51) HTR2CHTR2BKMT2ASMN1; SMN2KDM4E
SCHEMBL10133051 0.87 HRH3 (0.53) SMN1; SMN2RAB9ALMNAEPHX1HPGD
SCHEMBL5862834 0.87 HPGD (0.56) KMT2ASMN1; SMN2RAB9ALMNAEPHX1
SCHEMBL8652028 0.78 BCHE (0.59) KMT2AMEN1LTA4HBCHE
SCHEMBL10133110 0.78 RAB9A (0.76) HTR2CHTR2BKMT2ASMN1; SMN2KDM4E
SCHEMBL5349093 0.76 HTR2C (0.45) HTR2CHTR2B
SCHEMBL13864007 0.75 RAB9A (0.44) SMN1; SMN2RAB9ALMNAEPHX1HPGD
Carbamic Acid SCHEMBL5481170 0.75 KDM4E (0.65) HTR2CHTR2BKMT2ASMN1; SMN2KDM4E
SCHEMBL8874259 0.75 CYP3A4 (0.57) KMT2AMEN1EPHX1GAA
SCHEMBL8519393 0.75 BCHE (0.63) HTR2CHTR2BKMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
WO-2009009041-A2 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2009-01-15 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-20090149510-A1 Compositions and methods for modulating a kinase cascade MAP3K6, MAP3K4, MAP3K3 HTR2C 4001/4885HTR2B 4243/4885KMT2A 2598/4885

“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.