SCHEMBL3716029

SCHEMBL3716029

CC(C)(C)OP(=O)(OCCO)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.34
PPARD Q03181 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 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
SCHEMBL5165664 0.87 CYP3A4 (0.41) CYP3A4PPARDALDH1A1TSHR
SCHEMBL1632695 0.84 CYP3A4 (0.39) CYP3A4
SCHEMBL3815405 0.79 CYP3A4 (0.46) CYP3A4ALDH1A1TSHR
SCHEMBL3424891 0.77 CYP3A4 (0.34) CYP3A4ALDH1A1TSHR
SCHEMBL20503103 0.77 ALDH1A1 (0.61) CYP3A4ALDH1A1TSHR
SCHEMBL22772619 0.77 CYP3A4 (0.34) CYP3A4ALDH1A1TSHR
SCHEMBL3429790 0.77 CYP3A4 (0.34) CYP3A4ALDH1A1TSHR
SCHEMBL632894 0.77 ALDH1A1 (0.50) CYP3A4PPARDALDH1A1TSHR
SCHEMBL10225642 0.76 CYP3A4 (0.33) CYP3A4ALDH1A1
SCHEMBL3817581 0.76 CYP3A4 (0.67) CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117050259-A Silicon-phosphorus block intrinsic flame-retardant polyurea material and preparation method thereof 北京化工大学 2023-11-14 CN claimed
CN-117050259-A Silicon-phosphorus block intrinsic flame-retardant polyurea material and preparation method thereof 北京化工大学 2023-11-14 CN disclosed
WO-2016184878-A1 AQUEOUS INKJET INKS AGFA-GEVAERT (BE) 2016-11-24 WO disclosed
US-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-12-16 US disclosed
US-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-12-16 US disclosed
US-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-12-16 US disclosed
WO-2010142978-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-12-16 WO disclosed
WO-2010142978-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-12-16 WO disclosed
US-6930100-B2 Phosphate prodrugs of fluoroxindoles BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-16 US disclosed
US-20030195169-A1 Phosphate prodrugs of fluorooxindoles BRISTOL-MYERS SQUIBB COMPANY 2003-10-16 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-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 CYP3A4 62/4885PPARD 1169/4885ALDH1A1 847/4885
US-20030195169-A1 Phosphate prodrugs of fluorooxindoles KCNA5, KCNN3, CACNA1E CYP3A4 525/4885PPARD 3667/4885ALDH1A1 1617/4885

“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.