SCHEMBL2144022

SCHEMBL2144022

C=CCOC(CCCO)=C(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
CAMK2A Q9UQM7 1/20 0.33
CYP3A4 P08684 1/20 0.32
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 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
SCHEMBL20819805 0.83 TSHR (0.46) TSHRCYP3A4PKMSMN1; SMN2TDP1
SCHEMBL8947031 0.79 TSHR (0.41) TSHRCYP3A4PKMSMN1; SMN2TDP1
SCHEMBL6901037 0.79 TSHR (0.41) TSHRCYP3A4PKMSMN1; SMN2TDP1
SCHEMBL4577108 0.77 TSHR (0.36) TSHRCAMK2ACYP3A4SMN1; SMN2ALDH1A1
SCHEMBL11341500 0.74 CAMK2A (0.41) TSHRCAMK2AALDH1A1GAA
SCHEMBL10325239 0.74 TSHR (0.38) TSHRPKMSMN1; SMN2KMT2AMAPT
SCHEMBL5710506 0.73 TDP1 (0.37) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL1933623 0.72 TSHR (0.63) TSHRCAMK2ACYP3A4PKMSMN1; SMN2
SCHEMBL1024005 0.72 TSHR (0.40) TSHRCYP3A4PKMSMN1; SMN2TDP1
SCHEMBL465993 0.72 TSHR (0.40) TSHRCYP3A4PKMSMN1; SMN2TDP1

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 TSHR 3911/4885CAMK2A 3883/4885CYP3A4 4280/4885

“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.