SCHEMBL2144011

SCHEMBL2144011

C=CCOC(O)CCC=C(C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
CD81 P60033 1/20 0.33
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 2/20 0.31
MAPT P10636 2/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL11341491 0.81 CYP2D6 (0.41) CYP2D6CYP2C19CD81ALDH1A1
SCHEMBL9571225 0.76 ALDH1A1 (0.35) CYP2D6CYP2C19CD81ALDH1A1USP2
SCHEMBL10325237 0.75 FAAH (0.31) CYP2D6CYP2C19CD81ALDH1A1MAPT
SCHEMBL4919431 0.75 TDP1 (0.35) TDP1
SCHEMBL3165539 0.73 ALOX15 (0.34) CYP2D6CYP2C19CD81ALDH1A1CYP3A4
SCHEMBL1401881 0.73 CD81 (0.41) CYP2D6CYP2C19CD81ALDH1A1MAPT
SCHEMBL5008759 0.73 TET2 (0.35) TDP1
SCHEMBL1470266 0.73 MEN1 (0.36) CD81TDP1
SCHEMBL1470269 0.73 MEN1 (0.36) CD81TDP1
SCHEMBL148012 0.71 CD81 (0.40) CYP2D6CYP2C19CD81ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2345686-B1 Low molecular weight siloxanes with one functional group GELEST INC (US) 2018-05-16 EP disclosed
EP-1985645-B1 Low molecular weight siloxanes with one functional group GELEST INC (US) 2017-03-15 EP disclosed
US-8455599-B2 Asymmetric low molecular weight siloxanes with one functional group GELEST TECHNOLOGIES, INC. (US) 2013-06-04 US disclosed
EP-2345686-A2 Low molecular weight siloxanes with one functional group GELEST, INC. (US) 2011-07-20 EP disclosed
US-20100298591-A1 ASYMMETRIC LOW MOLECULAR WEIGHT SILOXANES WITH ONE FUNCTIONAL GROUP GELEST, INC. (US) 2010-11-25 US disclosed
US-7799888-B2 Low molecular weight siloxanes with one functional group GELEST, INC. (US) 2010-09-21 US disclosed
US-20080269429-A1 LOW MOLECULAR WEIGHT SILOXANES WITH ONE FUNCTIONAL GROUP GELEST, INC. (US) 2008-10-30 US disclosed
EP-1985645-A2 Low molecular weight siloxanes with one functional group GELEST, INC. (US) 2008-10-29 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-20100298591-A1 ASYMMETRIC LOW MOLECULAR WEIGHT SILOXANES WITH ONE FUNCTIONAL GROUP ILK, LASP1, PCNA CYP2D6 4580/4885CYP2C19 4671/4885CD81 3336/4885

“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.