SCHEMBL5096211

SCHEMBL5096211

CC(C)(c1ccccc1)c1cccc(C=C=O)c1C(C)(C)c1ccccc1.O[Ti](O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL11333419 0.71 ESR1 (0.36) ALDH1A1ESR1CYP3A4ESR2
SCHEMBL2275819 0.70 ATM (0.33) ALDH1A1ESR1CYP3A4ESR2
SCHEMBL11829661 0.69 ESR1 (0.39) ALDH1A1ESR1CYP3A4ESR2
SCHEMBL982955 0.69 ESR1 (0.48) ALDH1A1ESR1CYP3A4ESR2
SCHEMBL28101263 0.69 NR3C2 (0.40) ALDH1A1ESR1CYP3A4ESR2
Bicarbonate SCHEMBL17164627 0.68 ESR1 (0.44) ALDH1A1ESR1CYP3A4ESR2
Bicarbonate SCHEMBL29789005 0.68 ESR1 (0.44) ALDH1A1ESR1CYP3A4ESR2
SCHEMBL1685290 0.67 ERN1 (0.47) ALDH1A1ESR1CYP3A4ESR2
SCHEMBL17508181 0.67 KMT2A (0.46) ALDH1A1ESR1CYP3A4ESR2
SCHEMBL10634183 0.67 ESR1 (0.41) ALDH1A1ESR1CYP3A4ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080279809-A1 COATING MATERIAL FOR METAL SURFACES HAVING ANTIADHESIVE PROPERTIES HENKEL AG & CO. KGAA (DE) 2008-11-13 US disclosed
JP-2000226534-A COATING FOR IMPROVED RESIN DUST RESISTANCE GA TEK INC 2000-08-15 JP 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-20080279809-A1 COATING MATERIAL FOR METAL SURFACES HAVING ANTIADHESIVE PROPERTIES ZKSCAN2, CAD, ZRANB2 ALDH1A1 3621/4885ESR1 472/4885CYP3A4 2055/4885

“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.