SCHEMBL9605439

SCHEMBL9605439

COc1cc(O)cc(/C=C/c2ccccn2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.67
MAPT P10636 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
USP2 O75604 1/20 0.67
ALDH1A1 P00352 1/20 0.67
TP53 P04637 1/20 0.67
CYP3A4 P08684 1/20 0.67
HPGD P15428 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
TRPV1 Q8NER1 1/20 0.67
HSD17B10 Q99714 1/20 0.67
CYP1A1 P04798 6/20 0.59
CYP1B1 Q16678 6/20 0.59
PTGS2 P35354 4/20 0.59
ALOX5 P09917 3/20 0.59
TTR P02766 2/20 0.59
PTGS1 P23219 3/20 0.59
ABL1 P00519 3/20 0.54
BCR P11274 3/20 0.54

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
SCHEMBL9605437 0.85 PTGS1 (0.67) KDM4EMAPTMEN1KMT2AUSP2
SCHEMBL19076166 0.81 RELA (0.60) MAPTMEN1KMT2AALDH1A1CYP1A1
SCHEMBL9605435 0.81 CYP1A1 (0.58) KDM4EMAPTMEN1KMT2AUSP2
Pinosylvin Methyl Ether SCHEMBL1650248 0.80 KDM4E (1.00) KDM4EMAPTMEN1KMT2AUSP2
Pinosylvin Methyl Ether SCHEMBL1650247 0.80 KDM4E (1.00) KDM4EMAPTMEN1KMT2AUSP2
Pinosylvin Methyl Ether SCHEMBL29928865 0.80 KDM4E (1.00) KDM4EMAPTMEN1KMT2AUSP2
Pinosylvin Methyl Ether SCHEMBL30334927 0.80 KDM4E (1.00) KDM4EMAPTMEN1KMT2AUSP2
Pinosylvin Methyl Ether SCHEMBL9419826 0.80 KDM4E (1.00) KDM4EMAPTMEN1KMT2AUSP2
SCHEMBL10385902 0.80 PTGS1 (0.65) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL710300 0.79 MAPT (0.66) KDM4EMAPTMEN1KMT2AALDH1A1

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 KDM4E 1406/4885MAPT 1946/4885MEN1 2682/4885
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES HSF1, SIRT1, SIRT2 KDM4E 1777/4885MAPT 1916/4885MEN1 3348/4885

“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.