SCHEMBL2516764

SCHEMBL2516764

CC(C)C(=O)[O-].CC(C)C(=O)[O-].CCCOOC(=O)C(C)C.[Zr+2]

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
NFKB1 P19838 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CA1 P00915 2/20 0.34

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
SCHEMBL2512732 0.89 CA1 (0.40) CYP3A4TSHRNFKB1NPSR1CA1
SCHEMBL2520372 0.88 ALDH1A1 (0.33) TSHR
SCHEMBL834402 0.78 ALDH1A1 (0.46) TSHRCA1
SCHEMBL2841961 0.76 NAAA (0.45) CYP3A4TSHRNPSR1
SCHEMBL2517265 0.76 ALDH1A1 (0.45) TSHRCA1
SCHEMBL4678952 0.75 ALDH1A1 (0.33) TSHR
SCHEMBL28001750 0.74 NAAA (0.48) TSHRNPSR1
SCHEMBL17710662 0.72
2-Ethylhexanoic Acid SCHEMBL2520484 0.72 CA2 (0.62) CYP3A4TSHRNFKB1NPSR1CA1
Butane SCHEMBL28213268 0.71 ALDH1A1 (0.36) CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051435-B2 Silanol condensation catalyst, heat-curable silicone resin composition for sealing photosemiconductors and sealed photosemiconductor using same THE YOKOHAMA RUBBER CO., LTD. (JP) 2015-06-09 US disclosed
US-20140256539-A1 SILANOL CONDENSATION CATALYST, HEAT-CURABLE SILICONE RESIN COMPOSITION FOR SEALING PHOTOSEMICONDUCTORS AND SEALED PHOTOSEMICONDUCTOR USING SAME THE YOKOHAMA RUBBER CO., LTD. (JP) 2014-09-11 US disclosed
US-8772431-B2 Silanol condensation catalyst, heat-curable silicone resin composition for sealing photosemiconductors and sealed photosemiconductor using same THE YOKOHAMA RUBBER CO., LTD. (JP) 2014-07-08 US disclosed
US-20110248314-A1 SILANOL CONDENSATION CATALYST, HEAT-CURABLE SILICONE RESIN COMPOSITION FOR SEALING PHOTOSEMICONDUCTORS AND SEALED PHOTOSEMICONDUCTOR USING SAME THE YOKOHAMA RUBBER CO., LTD. (JP) 2011-10-13 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 (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-20110248314-A1 SILANOL CONDENSATION CATALYST, HEAT-CURABLE SILICONE RESIN COMPOSITION FOR SEALING PHOTOSEMICONDUCTORS AND SEALED PHOTOSEMICONDUCTOR USING SAME ASH2L, RCOR1, SEM1 CYP3A4 3935/4885TSHR 4322/4885NFKB1 721/4885

“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.