SCHEMBL9605425

SCHEMBL9605425

Oc1cc(O)cc(/C=C/c2ccc(OC(F)F)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.59
PTGS2 P35354 5/20 0.59
KDM4E B2RXH2 4/20 0.59
LMNA P02545 4/20 0.59
CYP1A1 P04798 3/20 0.59
CYP1B1 Q16678 3/20 0.59
ALOX12 P18054 3/20 0.59
TTR P02766 4/20 0.59
MEN1 O00255 3/20 0.59
ALDH1A1 P00352 3/20 0.59
TP53 P04637 3/20 0.59
CYP1A2 P05177 3/20 0.59
CYP3A4 P08684 3/20 0.59
MAPT P10636 3/20 0.59
CYP2C9 P11712 3/20 0.59
HPGD P15428 3/20 0.59
KMT2A Q03164 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HIF1A Q16665 3/20 0.59
HSD17B10 Q99714 3/20 0.59

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
SCHEMBL9605427 0.87 CYP1A1 (0.69) PTGS1PTGS2KDM4ELMNACYP1A1
SCHEMBL9605424 0.84 LCK (0.55) PTGS1PTGS2APPHDAC6ABL1
SCHEMBL13630652 0.81 PTGS1 (0.65) PTGS1PTGS2KDM4ELMNACYP1A1
SCHEMBL28524463 0.78 PTGS1 (0.71) PTGS1PTGS2KDM4ELMNACYP1A1
Resveratrol SCHEMBL27998695 0.78 PTGS1 (0.95) PTGS1PTGS2KDM4ELMNACYP1A1
SCHEMBL9060269 0.77 NFE2L2 (0.62) PTGS1PTGS2KDM4ELMNACYP1A1
SCHEMBL20929819 0.76 PTGS1 (0.57) PTGS1PTGS2KDM4ELMNACYP1A1
Resveratrol SCHEMBL19426 0.75 PTGS1 (1.00) PTGS1PTGS2KDM4ELMNACYP1A1
Resveratrol SCHEMBL20164915 0.75 PTGS1 (1.00) PTGS1PTGS2KDM4ELMNACYP1A1
Resveratrol SCHEMBL19425 0.75 PTGS1 (1.00) PTGS1PTGS2KDM4ELMNACYP1A1

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-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-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
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 PTGS1 3012/4885PTGS2 2856/4885KDM4E 1406/4885
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES HSF1, SIRT1, SIRT2 PTGS1 168/4885PTGS2 192/4885KDM4E 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.