SCHEMBL3120777

SCHEMBL3120777

C=CCCCC(C)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
USP2 O75604 3/20 0.40
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
ABCC4 O15439 1/20 0.39
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.38
TSHR P16473 3/20 0.37
PLA2G2C Q5R387 1/20 0.36
FAAH O00519 2/20 0.33
MGLL Q99685 1/20 0.33
CA1 P00915 1/20 0.33
BLM P54132 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
SCHEMBL3117140 0.94 MAPT (0.46) ALDH1A1MAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL3431297 0.92 MAPT (0.49) ALDH1A1MAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL3127325 0.92 MAPT (0.49) ALDH1A1MAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL3116277 0.92 MAPT (0.49) ALDH1A1MAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL3116666 0.89
SCHEMBL29954548 0.83 BLM (0.50) ALDH1A1MAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL12113872 0.83 BLM (0.50) ALDH1A1MAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL3109520 0.83 BLM (0.50) ALDH1A1MAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL16629081 0.81 MAPT (0.38) ALDH1A1MAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL8259830 0.81 MAPT (0.38) ALDH1A1MAPTUSP2CYP3A4SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 US disclosed
US-7714087-B2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. (JP) 2010-05-11 US disclosed
EP-1734061-B1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer and uses thereof MITSUI CHEMICALS INC (JP) 2010-04-07 EP disclosed
US-20090137757-A1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof IMUTA JUNICHI 2009-05-28 US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
US-7393907-B2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. (JP) 2008-07-01 US disclosed
EP-1734061-A2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer and uses thereof MITSUI CHEMICALS, INC. (JP) 2006-12-20 EP disclosed
US-20040122192-A1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. 2004-06-24 US disclosed
US-20020156207-A1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. (JP) 2002-10-24 US disclosed
EP-1186619-A2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition contaning the copolymer, and uses thereof Mitsui Chemicals, Inc. (JP) 2002-03-13 EP disclosed
EP-0003515-B1 MEGASTIGMAN-4,7-OXIDES(I) AND 7-OXABICYCLO(3,3,0)-OCTANES (II), PROCESS FOR THE PREPARATION OF (I) AND (II), USE OF (I) AND (II) AS FRAGRANCES AND/OR FLAVOURS, AND FRAGRANCE AND/OR FLAVOUR COMPOSITIONS CONTAINING (I) OR (II) L. Givaudan & Cie Société Anonyme (CH) 1981-02-11 EP 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 (1 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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 ALDH1A1 422/4885MAPT 32/4885USP2 3184/4885

“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.