SCHEMBL9605416

SCHEMBL9605416

CC(=O)C=CC1=CC=CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 2/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
IAPP P10997 2/20 0.36
PTGS1 P23219 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APP P05067 2/20 0.32

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
SCHEMBL9605417 1.00 GLA (0.41) GLATDP1KDM4EMAPTLMNA
SCHEMBL183861 0.83 HCAR2 (0.39) GLATDP1KDM4EMAPTLMNA
SCHEMBL6446355 0.83 HCAR2 (0.39) GLATDP1KDM4EMAPTLMNA
SCHEMBL19688849 0.82 GLA (0.37) GLATDP1KDM4EMAPTLMNA
SCHEMBL16367424 0.79
SCHEMBL3133219 0.77 HCAR2 (0.34) GLATDP1KDM4EMAPTLMNA
SCHEMBL1865882 0.73 GLA (0.36) GLATDP1KDM4EMAPTLMNA
SCHEMBL7634643 0.70
SCHEMBL6705442 0.70
SCHEMBL9918688 0.70

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-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES US ARMY, SECRETARY OF THE ARMY 2012-05-31 US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 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-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B GLA 602/4885TDP1 667/4885KDM4E 1406/4885
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES HSF1, SIRT1, SIRT2 GLA 355/4885TDP1 1821/4885KDM4E 1777/4885

“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.