SCHEMBL291545

SCHEMBL291545

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ATM Q13315 1/20 0.45
KDM1A O60341 1/20 0.35
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
RXRA P19793 7/20 0.33
CYP2C19 P33261 2/20 0.33
HIF1A Q16665 2/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 2/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXRG P48443 6/20 0.33
RXRB P28702 5/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 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
SCHEMBL291544 1.00 KDM4E (0.45) KDM4EATMKDM1AHMGCRCHRM1
SCHEMBL13852330 0.82 HTT (0.34) HMGCRCHRM1TBXA2RADRA1AHTT
SCHEMBL12295113 0.82 HTT (0.34) HMGCRCHRM1TBXA2RADRA1AHTT
SCHEMBL4406894 0.81 KDM4E (0.42) KDM4EATMKDM1AHMGCRCHRM1
SCHEMBL4406903 0.81 KDM4E (0.42) KDM4EATMKDM1AHMGCRCHRM1
SCHEMBL8711522 0.81 KDM4E (0.42) KDM4EATMKDM1AHMGCRCHRM1
SCHEMBL11921840 0.80 HTT (0.33) HTTSMN1; SMN2
SCHEMBL15482581 0.78 KDM4E (0.43) KDM4EATMKDM1ATSHRNR4A1
SCHEMBL11214676 0.78 POLB (0.47) TSHRHTTSMN1; SMN2
SCHEMBL5935822 0.76 HTT (0.32) HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174921-B2 Transvinylation as a first stage of coupling production of vinyl esters and acetic acid or propionic acid reaction products OXEA GMBH (DE) 2015-11-03 US disclosed
US-20140357881-A1 Transvinylation as a First Stage of Coupling Production of Vinyl Esters and Acetic Acid or Propionic Acid Reaction Products OQ CHEMICALS GMBH (DE) 2014-12-04 US disclosed
US-8153848-B2 Homoallyl alcohols useful as fragrances GIVAUDAN SA (CH) 2012-04-10 US disclosed
EP-2220019-B1 HOMOALLYL ALCOHOLS USEFUL AS FRAGRANCES GIVAUDAN SA (CH) 2012-03-14 EP disclosed
US-20110130470-A1 Homoallyl Alcohols Useful as Fragrances GIVAUDAN SA (CH) 2011-06-02 US disclosed
EP-2220019-A1 HOMOALLYL ALCOHOLS USEFUL AS FRAGRANCES Givaudan SA (CH) 2010-08-25 EP disclosed
WO-2009065244-A1 HOMOALLYL ALCOHOLS USEFUL AS FRAGRANCES GIVAUDAN SA (CH) 2009-05-28 WO 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-20110130470-A1 Homoallyl Alcohols Useful as Fragrances ADH5, HRH1, HRH3 KDM4E 2860/4885ATM 4171/4885KDM1A 2035/4885
US-20140357881-A1 Transvinylation as a First Stage of Coupling Production of Vinyl Esters and Acetic Acid or Propionic Acid Reaction Products OXGR1, OXER1, CBR3 KDM4E 3360/4885ATM 2681/4885KDM1A 3966/4885

“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.