SCHEMBL14359795

SCHEMBL14359795

Cc1c(OC(=O)CCC(=O)OCCO)cc2c(c1C)O[C@](C)(CCCC(C)CCCC(C)CCCC(C)C)CC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 6/20 0.60
GSTO1 P78417 2/20 0.60
PTPN1 P18031 1/20 0.60
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PDE4A P27815 1/20 0.55
PDE3A Q14432 1/20 0.55
PDPK1 O15530 2/20 0.55
PHLPP1 O60346 2/20 0.55
ILK Q13418 2/20 0.55
LMNA P02545 3/20 0.54
PSEN1 P49768 2/20 0.51
NR1I2 O75469 2/20 0.49
MAPT P10636 2/20 0.48
GSTP1 P09211 1/20 0.48
TTPA P49638 1/20 0.48
USP2 O75604 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL708743 0.90 GSTO1 (0.74) AKT1GSTO1PTPN1MEN1KMT2A
SCHEMBL3139787 0.86 GSTO1 (0.80) AKT1GSTO1PTPN1MEN1KMT2A
SCHEMBL29358491 0.86 GSTO1 (0.80) AKT1GSTO1PTPN1MEN1KMT2A
SCHEMBL12939323 0.86 GSTO1 (0.80) AKT1GSTO1PTPN1MEN1KMT2A
SCHEMBL16075621 0.86 GSTO1 (0.80) AKT1GSTO1PTPN1MEN1KMT2A
SCHEMBL708419 0.86 MEN1 (0.71) AKT1GSTO1PTPN1MEN1KMT2A
SCHEMBL29390266 0.86 MEN1 (0.71) AKT1GSTO1PTPN1MEN1KMT2A
SCHEMBL20635554 0.85 AKT1 (0.60) AKT1GSTO1PTPN1MEN1KMT2A
SCHEMBL14360085 0.85 GSTO1 (0.58) AKT1GSTO1PTPN1MEN1KMT2A
SCHEMBL29959827 0.84 AKT1 (0.64) AKT1GSTO1PTPN1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
US-20070060610-A1 Methods and pharmaceutical formulations for increasing bioavailability EASTMAN CHEMICAL COMPANY 2007-03-15 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 (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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 AKT1 2470/4885GSTO1 173/4885PTPN1 630/4885
US-20070060610-A1 Methods and pharmaceutical formulations for increasing bioavailability ABCG2, SLC10A2, SLCO1B1 AKT1 4461/4885GSTO1 1551/4885PTPN1 4711/4885

“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.