SCHEMBL9605424

SCHEMBL9605424

Oc1cccc(/C=C/c2ccc(OC(F)F)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.55
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
NLRP3 Q96P20 1/20 0.47
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL9605425 0.84 PTGS1 (0.59) LCKABL1BCRHDAC6RELA
SCHEMBL25221243 0.81 P4HB (0.57) RELA
(E)-3,4'-Stilbendiol SCHEMBL4167479 0.78 LCK (0.72) LCKABL1BCRCCNB2CDK1
(E)-3,4'-Stilbendiol SCHEMBL720092 0.78 LCK (0.72) LCKABL1BCRCCNB2CDK1
(E)-3,4'-Stilbendiol SCHEMBL720093 0.78 LCK (0.72) LCKABL1BCRCCNB2CDK1
(E)-3,4'-Stilbendiol SCHEMBL29798835 0.78 LCK (0.72) LCKABL1BCRCCNB2CDK1
SCHEMBL13338339 0.78 LCK (0.86) LCKABL1BCRCCNB2CDK1
SCHEMBL2512334 0.78 LCK (0.86) LCKABL1BCRCCNB2CDK1
SCHEMBL2512336 0.78 LCK (0.86) LCKABL1BCRCCNB2CDK1
SCHEMBL22828499 0.77 ABL1 (0.74) LCKABL1BCRRELANFE2L2

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 LCK 2745/4885ABL1 394/4885BCR 2002/4885
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES HSF1, SIRT1, SIRT2 LCK 1006/4885ABL1 4039/4885BCR 4001/4885

“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.