SCHEMBL3429790

SCHEMBL3429790

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

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.34
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
SCHEMBL29248196 0.81 TSHR (0.32) TSHR
SCHEMBL3815405 0.79 CYP3A4 (0.46) CYP3A4ALDH1A1TSHR
SCHEMBL20503103 0.77 ALDH1A1 (0.61) CYP3A4ALDH1A1TSHR
SCHEMBL22772619 0.77 CYP3A4 (0.34) CYP3A4ALDH1A1TSHR
SCHEMBL3424891 0.77 CYP3A4 (0.34) CYP3A4ALDH1A1TSHR
SCHEMBL3716029 0.77 CYP3A4 (0.34) CYP3A4ALDH1A1TSHR
SCHEMBL2141473 0.77 ALDH1A1 (0.50) CYP3A4ALDH1A1TSHR
SCHEMBL3817581 0.76 CYP3A4 (0.67) CYP3A4TSHR
SCHEMBL10225642 0.76 CYP3A4 (0.33) CYP3A4ALDH1A1
SCHEMBL11248848 0.75 ALDH1A1 (0.48) CYP3A4ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 US disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 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 (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-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 CYP3A4 624/4885ALDH1A1 402/4885TSHR 4808/4885

“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.